Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T16739 | Target Info | |||
| Target Name | Lysine-specific histone demethylase 1 (LSD) | ||||
| Synonyms | Lysine-specific histone demethylase 1A; LSD1; KIAA0601; KDM1; Flavin-containing amine oxidase domain-containing protein 2; BRAF35-HDAC complex protein BHC110; AOF2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KDM1A | ||||
| Biochemical Class | CH-NH(2) donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Flavin-Adenine Dinucleotide | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O | ||||
| InChI | 1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 | ||||
| InChIKey | VWWQXMAJTJZDQX-UYBVJOGSSA-N | ||||
| PubChem Compound ID | 643975 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5L3D Human LSD1/CoREST: LSD1 Y761H mutation | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 HSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
|
ILE284
3.933
GLY285
3.346
SER286
3.936
GLY287
3.506
VAL288
3.399
SER289
2.589
GLY290
4.395
LEU307
3.568
GLU308
2.510
ALA309
3.320
ARG310
2.986
GLY314
3.439
GLY315
3.321
ARG316
2.908
VAL317
3.784
LEU329
3.528
GLY330
3.199
ALA331
3.309
MET332
3.528
VAL333
3.035
THR335
4.869
THR588
3.670
ALA589
3.790
VAL590
3.017
THR624
3.407
LEU625
3.253
PRO626
3.561
VAL629
4.104
VAL637
3.752
LEU659
3.476
LYS661
3.903
TRP751
3.722
PRO755
4.990
TRP756
3.279
GLY759
4.956
SER760
3.206
HIS761
3.351
GLY800
3.214
GLU801
2.872
ALA809
3.738
THR810
3.413
VAL811
3.071
HIS812
4.431
ALA814
3.521
|
|||||
| PDB ID: 4UXN LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580 | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [2] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
|
ILE284
4.137
GLY285
3.395
SER286
3.815
GLY287
3.167
VAL288
3.338
SER289
1.802
GLY290
4.358
LEU307
3.670
GLU308
1.825
ALA309
3.170
ARG310
3.170
GLY314
3.504
GLY315
3.481
ARG316
2.888
VAL317
4.006
LEU329
3.246
GLY330
3.057
ALA331
2.856
MET332
2.983
VAL333
2.931
TYR571
4.992
THR588
3.579
ALA589
3.687
VAL590
2.931
THR624
3.432
LEU625
3.320
PRO626
3.525
VAL629
4.194
VAL637
3.780
LEU659
4.024
LYS661
3.839
TRP751
3.254
PRO755
4.977
TRP756
3.458
GLY759
4.473
SER760
3.430
TYR761
3.506
GLY800
3.328
GLU801
2.939
ALA809
3.394
THR810
3.364
VAL811
2.881
HIS812
4.546
ALA814
3.716
|
|||||
| PDB ID: 5LHH Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 3.05 Å | Mutation | No | [3] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
|
ILE284
3.931
GLY285
3.256
SER286
4.170
GLY287
3.399
VAL288
3.328
SER289
3.023
GLY290
4.327
LEU307
3.696
GLU308
2.476
ALA309
3.217
ARG310
2.925
GLY314
3.314
GLY315
3.186
ARG316
2.874
VAL317
3.697
LEU329
3.569
GLY330
3.080
ALA331
3.143
MET332
3.263
VAL333
2.949
THR335
4.883
TYR571
4.935
THR588
3.638
ALA589
3.680
VAL590
2.946
THR624
3.379
LEU625
3.358
PRO626
3.429
VAL629
4.182
VAL637
3.681
LEU659
3.811
LYS661
3.848
TRP751
3.668
PRO755
4.850
TRP756
3.268
GLY759
4.883
SER760
3.462
TYR761
3.465
GLY800
3.357
GLU801
2.962
ALA809
3.408
THR810
2.797
VAL811
2.774
HIS812
4.374
ALA814
3.450
|
|||||
| PDB ID: 2XAG Crystal structure of LSD1-CoREST in complex with para-bromo-(-)-trans- 2-phenylcyclopropyl-1-amine | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [4] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.219
GLY285
3.223
SER286
4.052
GLY287
3.227
VAL288
3.224
SER289
3.036
GLY290
4.454
LEU307
3.281
GLU308
2.542
ALA309
3.022
ARG310
2.984
GLY314
3.507
GLY315
3.166
ARG316
2.771
VAL317
3.747
LEU329
3.110
GLY330
3.149
ALA331
3.311
MET332
3.030
VAL333
2.637
TYR571
4.605
THR588
3.124
|
|||||
| PDB ID: 2XAH Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [4] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.139
GLY285
3.410
SER286
4.193
GLY287
3.330
VAL288
3.338
SER289
3.081
GLY290
4.420
LEU307
3.498
GLU308
2.344
ALA309
3.408
ARG310
3.215
GLY314
3.691
GLY315
3.495
ARG316
2.833
VAL317
3.802
LEU329
3.484
GLY330
3.263
ALA331
3.281
MET332
2.960
VAL333
2.746
THR335
4.893
TYR571
4.359
|
|||||
| PDB ID: 6TE1 Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol | ||||||
| Method | X-ray diffraction | Resolution | 3.11 Å | Mutation | No | [5] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.009
GLY285
3.255
SER286
3.868
GLY287
3.560
VAL288
3.383
SER289
2.913
GLY290
4.345
LEU307
3.651
GLU308
2.369
ALA309
3.206
ARG310
3.007
GLY314
3.412
GLY315
3.390
ARG316
2.884
VAL317
3.647
LEU329
3.602
GLY330
2.838
ALA331
3.110
MET332
4.123
VAL333
2.932
THR588
3.671
ALA589
3.728
|
|||||
| PDB ID: 2XAQ Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b) | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [4] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.306
GLY285
3.661
SER286
3.513
GLY287
3.425
VAL288
3.549
SER289
2.862
GLY290
4.184
LEU307
3.756
GLU308
2.041
ALA309
3.293
ARG310
3.406
GLY314
3.539
GLY315
3.645
ARG316
2.883
VAL317
4.136
LEU329
3.536
GLY330
3.383
ALA331
3.217
MET332
3.404
VAL333
2.685
THR335
4.540
TYR571
4.537
|
|||||
| PDB ID: 2XAS Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e) | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [4] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.303
GLY285
3.329
SER286
3.934
GLY287
3.118
VAL288
3.287
SER289
2.931
GLY290
4.115
LEU307
3.281
GLU308
2.422
ALA309
3.077
ARG310
2.982
GLY314
3.263
GLY315
3.368
ARG316
2.880
VAL317
3.839
LEU329
3.235
GLY330
3.012
ALA331
3.313
MET332
2.948
VAL333
2.717
TYR571
4.714
THR588
3.354
|
|||||
| PDB ID: 2XAF Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine | ||||||
| Method | X-ray diffraction | Resolution | 3.25 Å | Mutation | No | [4] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.997
GLY285
3.159
SER286
3.793
GLY287
3.192
VAL288
3.302
SER289
2.730
GLY290
4.099
LEU307
3.414
GLU308
2.376
ALA309
3.132
ARG310
2.823
GLY314
3.416
GLY315
3.259
ARG316
2.755
VAL317
3.619
LEU329
3.027
GLY330
2.820
ALA331
3.435
MET332
3.368
VAL333
2.897
TYR571
4.542
THR588
3.394
|
|||||
| PDB ID: 2XAJ Crystal structure of LSD1-CoREST in complex with (-)-trans-2- phenylcyclopropyl-1-amine | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [4] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.042
GLY285
3.308
SER286
3.933
GLY287
2.927
VAL288
3.442
SER289
2.625
GLY290
4.327
LEU307
3.589
GLU308
2.473
ALA309
3.074
ARG310
2.915
GLY314
3.524
GLY315
3.308
ARG316
2.902
VAL317
3.658
LEU329
3.279
GLY330
2.776
ALA331
3.251
MET332
2.968
VAL333
2.637
TYR571
4.324
THR588
3.372
|
|||||
| PDB ID: 5L3B Human LSD1/CoREST: LSD1 D556G mutation | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDGDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:312 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.012
GLY285
3.254
SER286
3.993
GLY287
3.098
VAL288
3.526
SER289
2.466
GLY290
4.128
LEU307
3.497
GLU308
2.439
ALA309
3.168
ARG310
2.995
ARG312
4.953
GLY314
3.156
GLY315
3.272
ARG316
2.838
VAL317
3.889
LEU329
3.658
GLY330
3.248
ALA331
3.204
MET332
3.224
VAL333
2.938
THR335
4.573
THR588
3.592
ALA589
3.726
VAL590
2.851
THR624
3.486
LEU625
3.283
PRO626
3.537
VAL629
4.037
VAL637
3.780
LEU659
3.630
LYS661
3.981
TRP751
3.566
PRO755
4.915
TRP756
3.311
ALA757
4.469
GLY759
4.790
SER760
3.318
TYR761
3.385
GLY800
3.010
GLU801
3.127
ALA809
3.665
THR810
2.735
VAL811
3.024
HIS812
4.238
ALA814
3.357
|
|||||
| PDB ID: 5L3C Human LSD1/CoREST: LSD1 E379K mutation | ||||||
| Method | X-ray diffraction | Resolution | 3.31 Å | Mutation | Yes | [1] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVKQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:312 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.011
GLY285
3.408
SER286
4.042
GLY287
3.044
VAL288
3.549
SER289
2.589
GLY290
4.275
LEU307
3.373
GLU308
2.416
ALA309
3.285
ARG310
3.129
ARG312
4.900
GLY314
3.166
GLY315
3.326
ARG316
2.899
VAL317
3.435
LEU329
3.720
GLY330
3.254
ALA331
3.198
MET332
3.244
VAL333
2.822
THR335
4.397
TYR571
4.916
THR588
3.584
ALA589
3.753
VAL590
2.939
THR624
3.638
LEU625
3.348
PRO626
3.411
VAL629
4.156
VAL637
3.877
LEU659
3.936
LYS661
3.993
TRP751
3.663
PRO755
4.981
TRP756
3.272
SER760
3.423
TYR761
3.387
GLY800
3.207
GLU801
2.954
ALA809
3.969
THR810
3.053
VAL811
3.178
HIS812
4.120
ALA814
3.393
|
|||||
| PDB ID: 5LHG Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 3.34 Å | Mutation | No | [3] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.978
GLY285
3.323
SER286
4.080
GLY287
3.330
VAL288
3.275
SER289
3.020
GLY290
4.241
LEU307
3.651
GLU308
2.290
ALA309
3.355
ARG310
3.114
GLY314
3.360
GLY315
3.167
ARG316
2.847
VAL317
3.556
LEU329
3.573
GLY330
3.034
ALA331
3.246
MET332
3.159
VAL333
2.872
THR335
4.847
THR588
3.652
ALA589
3.678
VAL590
2.941
THR624
3.365
LEU625
3.354
PRO626
3.471
VAL629
4.049
VAL637
3.640
LEU659
4.264
LYS661
4.339
TRP751
3.431
PRO755
4.941
TRP756
3.404
GLY759
4.705
SER760
3.480
TYR761
3.462
GLY800
3.295
GLU801
2.844
ALA809
3.713
THR810
2.748
VAL811
2.937
HIS812
4.493
ALA814
3.487
|
|||||
| PDB ID: 5LHI Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | No | [3] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.034
GLY285
3.235
SER286
3.930
GLY287
3.067
VAL288
3.178
SER289
3.042
GLY290
4.291
LEU307
3.768
GLU308
2.113
ALA309
3.182
ARG310
2.944
GLY314
3.593
GLY315
3.165
ARG316
2.629
VAL317
3.508
LEU329
3.321
GLY330
3.062
ALA331
3.117
MET332
3.158
VAL333
3.009
THR335
4.932
THR588
3.787
ALA589
3.584
VAL590
2.973
THR624
3.443
LEU625
3.350
PRO626
3.209
VAL629
4.251
VAL637
3.657
LEU659
3.802
LYS661
4.176
TRP751
3.578
PRO755
4.820
TRP756
3.406
GLY759
4.977
SER760
3.432
TYR761
3.517
GLY800
3.103
GLU801
3.022
ALA809
3.648
THR810
3.167
VAL811
3.041
HIS812
4.398
ALA814
3.640
|
|||||
| PDB ID: 6TUY Human LSD1/CoREST bound to the quinazoline inhibitor MC4106 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [6] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.885
GLY285
3.441
SER286
3.949
GLY287
3.280
VAL288
3.247
SER289
2.600
GLY290
4.351
LEU307
3.565
GLU308
2.489
ALA309
3.185
ARG310
3.087
ARG312
4.979
VAL313
4.002
GLY314
3.645
GLY315
3.232
ARG316
2.685
VAL317
3.892
LEU329
3.672
GLY330
3.196
ALA331
3.118
MET332
3.305
VAL333
2.929
THR335
4.646
TYR571
4.812
THR588
3.643
ALA589
3.659
VAL590
2.927
THR624
3.452
LEU625
3.226
PRO626
3.402
VAL629
4.150
VAL637
3.907
LEU659
3.945
LYS661
3.889
TRP751
3.834
PRO755
4.981
TRP756
3.262
GLY759
4.721
SER760
3.113
TYR761
3.515
GLY800
3.111
GLU801
3.002
ALA809
3.686
THR810
2.883
VAL811
2.988
HIS812
4.398
ALA814
3.337
|
|||||
| PDB ID: 3ZN0 LSD1-CoREST in complex with PRSFAA peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [7] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.938
GLY285
3.215
SER286
3.991
GLY287
3.357
VAL288
3.290
SER289
2.990
GLY290
4.224
LEU307
3.385
GLU308
2.531
ALA309
3.339
ARG310
3.051
GLY314
3.433
GLY315
3.184
ARG316
2.853
VAL317
3.911
LEU329
3.626
GLY330
2.995
ALA331
3.168
MET332
3.125
VAL333
2.725
THR335
4.708
THR588
3.565
ALA589
3.822
VAL590
3.012
THR624
3.377
LEU625
3.338
PRO626
3.430
VAL629
4.026
VAL637
3.653
LEU659
3.680
LYS661
3.771
TRP751
3.821
PRO755
4.857
TRP756
3.404
GLY759
4.941
SER760
3.181
TYR761
3.209
GLY800
3.212
GLU801
2.963
ALA809
3.676
THR810
3.179
VAL811
2.798
HIS812
4.421
ALA814
3.474
|
|||||
| PDB ID: 3ZMS LSD1-CoREST in complex with INSM1 peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.96 Å | Mutation | No | [7] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 AMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.004
GLY285
3.314
SER286
4.046
GLY287
3.302
VAL288
3.403
SER289
2.672
GLY290
4.259
LEU307
3.431
GLU308
2.509
ALA309
3.321
ARG310
3.066
GLY314
3.416
GLY315
3.220
ARG316
2.809
VAL317
3.757
LEU329
3.658
GLY330
3.088
ALA331
3.155
MET332
3.230
VAL333
2.731
THR335
4.772
THR588
3.516
ALA589
3.700
VAL590
2.910
THR624
3.358
LEU625
3.354
PRO626
3.506
VAL629
4.059
VAL637
3.662
LEU659
3.673
LYS661
3.737
TRP751
3.850
PRO755
4.935
TRP756
3.373
GLY759
4.993
SER760
3.246
TYR761
3.284
GLY800
3.302
GLU801
3.036
ALA809
3.493
THR810
3.227
VAL811
2.892
HIS812
4.287
ALA814
3.491
|
|||||
| PDB ID: 3ZMV LSD1-CoREST in complex with PLSFLV peptide | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [7] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 AMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:802 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.072
GLY285
3.223
SER286
4.181
GLY287
3.337
VAL288
3.487
SER289
2.902
GLY290
4.188
LEU307
3.406
GLU308
2.629
ALA309
3.133
ARG310
2.957
GLY314
3.424
GLY315
3.093
ARG316
2.940
VAL317
3.495
LEU329
3.337
GLY330
3.448
ALA331
3.205
MET332
3.116
VAL333
2.758
TYR571
4.826
THR588
3.457
ALA589
3.718
VAL590
2.962
THR624
3.402
LEU625
3.290
PRO626
3.423
VAL629
4.096
VAL637
3.511
LEU659
3.724
LYS661
3.794
TRP751
3.733
PRO755
4.766
TRP756
3.484
GLY759
4.779
SER760
3.347
TYR761
3.516
GLY800
3.302
GLU801
2.967
HIS802
4.975
ALA809
3.644
THR810
3.306
VAL811
2.815
HIS812
4.410
ALA814
3.470
|
|||||
| PDB ID: 3ZMZ LSD1-CoREST in complex with PRSFAV peptide | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [7] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.170
GLY285
3.261
SER286
3.998
GLY287
3.305
VAL288
3.384
SER289
2.738
GLY290
4.197
LEU307
3.583
GLU308
2.476
ALA309
3.289
ARG310
3.081
GLY314
3.368
GLY315
3.249
ARG316
2.900
VAL317
3.733
LEU329
3.470
GLY330
3.029
ALA331
3.223
MET332
3.234
VAL333
2.816
THR335
4.775
TYR571
4.977
THR588
3.446
ALA589
3.695
VAL590
2.879
THR624
3.434
LEU625
3.346
PRO626
3.373
VAL629
3.990
VAL637
3.602
LEU659
3.689
LYS661
3.859
TRP751
3.599
PRO755
4.994
TRP756
3.415
GLY759
4.791
SER760
3.272
TYR761
3.342
GLY800
3.301
GLU801
2.896
ALA809
3.785
THR810
3.293
VAL811
2.848
HIS812
4.520
ALA814
3.591
|
|||||
| PDB ID: 4CZZ Histone demethylase LSD1(KDM1A)-CoREST3 Complex | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [8] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:312 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.025
GLY285
3.453
SER286
4.024
GLY287
3.042
VAL288
3.395
SER289
3.059
GLY290
4.010
LEU307
3.441
GLU308
2.329
ALA309
3.141
ARG310
3.199
ARG312
4.969
GLY314
3.240
GLY315
3.309
ARG316
2.950
VAL317
3.823
LEU329
3.664
GLY330
3.855
ALA331
2.945
MET332
3.252
VAL333
3.067
THR335
4.446
THR588
3.341
ALA589
3.543
VAL590
2.906
THR624
3.732
LEU625
3.155
PRO626
3.539
VAL629
4.115
VAL637
3.783
LEU659
3.861
LYS661
4.079
TRP751
3.469
TRP756
3.406
GLY759
4.623
SER760
3.338
TYR761
3.420
GLY800
3.284
GLU801
3.057
ALA809
3.754
THR810
2.987
VAL811
3.170
HIS812
4.566
ALA814
3.735
|
|||||
| PDB ID: 3ZMT LSD1-CoREST in complex with PRSFLV peptide | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [7] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 AMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.043
GLY285
3.260
SER286
4.058
GLY287
3.295
VAL288
3.441
SER289
2.720
GLY290
4.226
LEU307
3.359
GLU308
2.579
ALA309
3.280
ARG310
3.080
GLY314
3.337
GLY315
3.275
ARG316
2.874
VAL317
3.677
LEU329
3.553
GLY330
3.121
ALA331
3.171
MET332
3.185
VAL333
2.749
THR335
4.877
THR588
3.482
ALA589
3.648
VAL590
2.894
THR624
3.396
LEU625
3.385
PRO626
3.434
VAL629
4.087
VAL637
3.752
LEU659
3.780
LYS661
3.799
TRP751
3.611
PRO755
4.976
TRP756
3.327
GLY759
4.838
SER760
3.216
TYR761
3.298
GLY800
3.305
GLU801
2.965
ALA809
3.604
THR810
3.040
VAL811
2.932
HIS812
4.412
ALA814
3.513
|
|||||
| PDB ID: 3ZN1 LSD1-CoREST in complex with PRLYLV peptide | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [7] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:802 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.172
GLY285
3.262
SER286
4.087
GLY287
3.172
VAL288
3.360
SER289
2.926
GLY290
4.207
LEU307
3.363
GLU308
2.489
ALA309
3.260
ARG310
3.111
GLY314
3.283
GLY315
3.216
ARG316
2.825
VAL317
3.752
LEU329
3.607
GLY330
3.020
ALA331
3.170
MET332
3.140
VAL333
2.683
THR335
4.572
TYR571
4.912
THR588
3.442
ALA589
3.703
VAL590
2.879
THR624
3.394
LEU625
3.312
PRO626
3.358
VAL629
4.096
VAL637
3.659
LEU659
3.772
LYS661
3.972
TRP751
3.654
PRO755
4.877
TRP756
3.263
GLY759
4.956
SER760
3.149
TYR761
3.397
GLY800
3.287
GLU801
2.996
HIS802
4.964
ALA809
3.628
THR810
3.133
VAL811
2.875
HIS812
4.493
ALA814
3.446
|
|||||
| PDB ID: 3ZMU LSD1-CoREST in complex with PKSFLV peptide | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [7] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 AMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.031
GLY285
3.269
SER286
4.118
GLY287
3.226
VAL288
3.396
SER289
2.688
GLY290
4.196
LEU307
3.386
GLU308
2.575
ALA309
3.268
ARG310
2.955
GLY314
3.337
GLY315
3.175
ARG316
2.952
VAL317
3.570
LEU329
3.576
GLY330
3.069
ALA331
3.186
MET332
3.133
VAL333
2.692
THR335
4.885
THR588
3.489
|
|||||
| PDB ID: 2X0L Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1. | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [9] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAD369A TVKVPKEKDE 376 MVEQEFNRLL386 EATSYLSHQL396 DFNVLNNKPV406 SLGQALEVVI416 QLQEKHVKDE 426 QIEHWKKIVK436 TQEELKELLN446 KMVNLKEKIK456 ELHQQYKEAS466 EVKPPRDITA 476 EFLVKSKHRD486 LTALCKEYDE496 LAETQGKLEE506 KLQELEANPP516 SDVYLSSRDR 526 QILDWHFANL536 EFANATPLST546 LSLKHWDQDD556 DFEFTGSHLT566 VRNGYSCVPV 576 ALAEGLDIKL586 NTAVRQVRYT596 ASGCEVIAVN606 TRSTSQTFIY616 KCDAVLCTLP 626 LGVLKQQPPA636 VQFVPPLPEW646 KTSAVQRMGF656 GNLNKVVLCF666 DRVFWDPSVN 676 LFGHVGSTTA686 SRGELFLFWN696 LYKAPILLAL706 VAGEAAGIME716 NISDDVIVGR 726 CLAILKGIFG736 SSAVPQPKET746 VVSRWRADPW756 ARGSYSYVAA766 GSSGNDYDLM 776 AQPITPGPSI786 PGAPQPIPRL796 FFAGEHTIRN806 YPATVHGALL816 SGLREAGRIA 826 DQFLGAMYTL836
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.085
GLY285
3.351
SER286
3.908
GLY287
3.176
VAL288
3.331
SER289
2.834
GLY290
4.269
LEU307
3.433
GLU308
2.587
ALA309
3.209
ARG310
3.053
GLY314
3.642
GLY315
3.369
ARG316
2.653
VAL317
4.128
LEU329
3.633
GLY330
3.059
ALA331
3.103
MET332
2.999
VAL333
2.771
THR335
4.763
TYR571
4.872
|
|||||
| PDB ID: 5L3E LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [10] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.111
GLY285
3.291
SER286
3.971
GLY287
3.552
VAL288
3.246
SER289
2.667
GLY290
4.291
LEU307
3.425
GLU308
2.370
ALA309
3.112
ARG310
3.053
GLY314
3.369
GLY315
3.217
ARG316
2.762
VAL317
3.932
LEU329
3.611
GLY330
3.328
ALA331
3.132
MET332
3.307
VAL333
2.948
THR335
4.573
TYR571
4.669
THR588
3.462
ALA589
3.740
VAL590
3.033
THR624
3.446
LEU625
3.210
PRO626
3.356
VAL629
4.302
VAL637
3.766
LEU659
3.691
LYS661
3.764
TRP751
3.812
TRP756
3.358
GLY759
4.606
SER760
3.122
TYR761
3.386
GLY800
3.127
GLU801
2.945
ALA809
3.774
THR810
3.065
VAL811
3.070
HIS812
4.219
ALA814
3.525
|
|||||
| PDB ID: 2Y48 Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [11] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 AMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.992
GLY285
3.304
SER286
3.848
GLY287
3.229
VAL288
3.284
SER289
2.949
GLY290
4.272
LEU307
3.518
GLU308
2.499
ALA309
3.210
ARG310
3.251
GLY314
3.646
GLY315
3.395
ARG316
2.844
VAL317
3.796
LEU329
3.670
GLY330
3.073
ALA331
3.008
MET332
2.999
VAL333
2.769
THR335
4.711
THR588
3.435
|
|||||
| PDB ID: 5LGT Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15 | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [3] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.773
GLY285
3.160
SER286
3.971
GLY287
2.999
VAL288
3.575
SER289
2.529
GLY290
4.315
LEU307
3.533
GLU308
2.532
ALA309
3.335
ARG310
3.102
GLY314
3.195
GLY315
3.241
ARG316
2.910
VAL317
3.741
LEU329
3.525
GLY330
3.355
ALA331
3.227
MET332
3.248
VAL333
3.078
THR335
4.794
THR588
3.659
ALA589
3.675
VAL590
2.948
THR624
3.511
LEU625
3.301
PRO626
3.511
VAL629
4.229
VAL637
4.077
LEU659
3.545
LYS661
4.094
TRP751
3.617
PRO755
4.771
TRP756
3.135
GLY759
4.888
SER760
3.322
TYR761
3.438
GLY800
3.017
GLU801
2.927
ALA809
3.819
THR810
2.915
VAL811
3.176
HIS812
4.498
ALA814
3.376
|
|||||
| PDB ID: 2V1D Structural basis of LSD1-CoREST selectivity in histone H3 recognition | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [12] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.954
GLY285
3.427
SER286
3.754
GLY287
3.215
VAL288
3.300
SER289
2.897
GLY290
4.169
LEU307
3.328
GLU308
2.390
ALA309
3.143
ARG310
2.891
GLY314
3.773
GLY315
3.342
ARG316
2.802
VAL317
3.933
LEU329
3.492
GLY330
2.877
ALA331
3.023
MET332
3.088
VAL333
2.953
THR335
4.818
TYR571
4.860
THR588
3.439
ALA589
3.757
VAL590
2.927
THR624
3.582
LEU625
3.161
PRO626
3.238
VAL629
4.065
VAL637
3.814
LEU659
3.810
LYS661
3.722
TRP751
3.733
TRP756
3.414
GLY759
4.998
SER760
3.128
TYR761
3.336
GLY800
3.282
GLU801
3.014
ALA809
3.353
THR810
3.287
VAL811
2.997
HIS812
4.395
ALA814
3.670
|
|||||
| PDB ID: 5L3G LSD1-CoREST1 in complex with polymyxin E (colistin) | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [10] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:802 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.083
GLY285
3.221
SER286
3.886
GLY287
2.880
VAL288
3.096
SER289
2.889
GLY290
4.309
LEU307
3.684
GLU308
2.739
ALA309
2.968
ARG310
2.997
GLY314
3.215
GLY315
3.164
ARG316
2.924
VAL317
3.782
LEU329
3.262
GLY330
2.914
ALA331
3.125
MET332
2.935
VAL333
2.835
THR335
4.492
TYR571
4.856
THR588
3.413
ALA589
3.669
VAL590
2.898
THR624
3.447
LEU625
3.151
PRO626
3.517
VAL629
4.188
VAL637
3.725
LEU659
3.629
LYS661
3.929
TRP751
3.591
TRP756
3.202
GLY759
4.679
SER760
3.281
TYR761
3.487
GLY800
3.058
GLU801
3.007
HIS802
4.846
ALA809
3.547
THR810
3.229
VAL811
2.847
HIS812
4.178
ALA814
3.430
|
|||||
| PDB ID: 5LGU Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [3] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.997
GLY285
3.326
SER286
4.065
GLY287
3.143
VAL288
3.649
SER289
2.401
GLY290
4.318
LEU307
3.418
GLU308
2.386
ALA309
3.280
ARG310
3.014
GLY314
3.154
GLY315
3.194
ARG316
2.805
VAL317
3.755
LEU329
3.624
GLY330
3.447
ALA331
3.096
MET332
3.148
VAL333
2.906
THR335
4.819
THR588
3.621
|
|||||
| PDB ID: 5LBQ LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [10] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:802 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.210
GLY285
3.448
SER286
3.945
GLY287
3.103
VAL288
3.084
SER289
2.609
GLY290
4.234
LEU307
3.181
GLU308
2.223
ALA309
3.109
ARG310
3.126
GLY314
3.207
GLY315
3.485
ARG316
2.837
VAL317
3.613
LEU329
3.337
GLY330
3.203
ALA331
2.984
MET332
3.141
VAL333
2.803
THR335
4.220
THR588
3.501
ALA589
3.750
VAL590
2.938
THR624
3.430
LEU625
3.331
PRO626
3.469
VAL629
4.029
VAL637
3.613
LEU659
3.195
LYS661
4.344
TRP751
3.443
TRP756
3.143
GLY759
4.817
SER760
3.186
TYR761
3.310
GLY800
3.289
GLU801
3.056
HIS802
4.963
ALA809
3.661
THR810
3.302
VAL811
3.188
HIS812
4.160
ALA814
3.623
|
|||||
| PDB ID: 5L3F LSD1-CoREST1 in complex with polymyxin B | ||||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [10] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:312 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.454
GLY285
3.262
SER286
3.986
GLY287
2.939
VAL288
2.841
SER289
2.940
GLY290
4.491
LEU307
3.090
GLU308
2.242
ALA309
2.915
ARG310
2.975
ARG312
4.964
GLY314
2.852
GLY315
3.199
ARG316
2.689
VAL317
3.665
LEU329
3.488
GLY330
2.914
ALA331
2.968
MET332
2.900
VAL333
2.778
THR335
4.271
TYR571
4.846
THR588
3.346
ALA589
3.732
VAL590
3.040
THR624
3.389
LEU625
3.229
PRO626
3.320
VAL629
4.080
VAL637
3.686
LEU659
3.595
LYS661
3.811
TRP751
3.625
PRO755
4.775
TRP756
3.482
GLY759
4.513
SER760
3.144
TYR761
3.298
GLY800
3.391
GLU801
3.108
ALA809
3.690
THR810
2.910
VAL811
3.044
HIS812
4.344
ALA814
3.651
|
|||||
| PDB ID: 4BAY Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [13] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAD369A DVKVPKEKDE 376 MVEQEFNRLL386 EATSYLSHQL396 DFNVLNNKPV406 SLGQALEVVI416 QLQEKHVKDE 426 QIEHWKKIVK436 TQEELKELLN446 KMVNLKEKIK456 ELHQQYKEAS466 EVKPPRDITA 476 EFLVKSKHRD486 LTALCKEYDE496 LAETQGKLEE506 KLQELEANPP516 SDVYLSSRDR 526 QILDWHFANL536 EFANATPLST546 LSLKHWDQDD556 DFEFTGSHLT566 VRNGYSCVPV 576 ALAEGLDIKL586 NTAVRQVRYT596 ASGCEVIAVN606 TRSTSQTFIY616 KCDAVLCTLP 626 LGVLKQQPPA636 VQFVPPLPEW646 KTSAVQRMGF656 GNLNKVVLCF666 DRVFWDPSVN 676 LFGHVGSTTA686 SRGELFLFWN696 LYKAPILLAL706 VAGEAAGIME716 NISDDVIVGR 726 CLAILKGIFG736 SSAVPQPKET746 VVSRWRADPW756 ARGSYSYVAA766 GSSGNDYDLM 776 AQPITPGPSI786 PGAPQPIPRL796 FFAGEHTIRN806 YPATVHGALL816 SGLREAGRIA 826 DQFLGAMYTL836
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.995
GLY285
3.187
SER286
4.095
GLY287
3.220
VAL288
3.362
SER289
2.750
GLY290
4.179
LEU307
3.478
GLU308
2.493
ALA309
3.220
ARG310
3.064
GLY314
3.330
GLY315
3.154
ARG316
2.957
VAL317
3.636
LEU329
3.498
GLY330
3.052
ALA331
3.134
MET332
3.329
VAL333
2.893
THR335
4.590
THR588
3.474
ALA589
3.590
VAL590
2.863
THR624
3.362
LEU625
3.340
PRO626
3.399
VAL629
4.051
VAL637
3.654
LEU659
3.551
LYS661
4.367
TRP751
3.468
PRO755
4.805
TRP756
3.372
GLY759
4.659
SER760
3.198
TYR761
3.473
GLY800
3.147
GLU801
2.964
ALA809
3.780
THR810
2.910
VAL811
3.028
HIS812
4.490
ALA814
3.427
|
|||||
| PDB ID: 5LGN Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [14] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAD370 DVKVPKEKDE 380 MVEQEFNRLL390 EATSYLSHQL400 DFNVLNNKPV410 SLGQALEVVI420 QLQEKHVKDE 430 QIEHWKKIVK440 TQEELKELLN450 KMVNLKEKIK460 ELHQQYKEAS470 EVKPPRDITA 480 EFLVKSKHRD490 LTALCKEYDE500 LAETQGKLEE510 KLQELEANPP520 SDVYLSSRDR 530 QILDWHFANL540 EFANATPLST550 LSLKHWDQDD560 DFEFTGSHLT570 VRNGYSCVPV 580 ALAEGLDIKL590 NTAVRQVRYT600 ASGCEVIAVN610 TRSTSQTFIY620 KCDAVLCTLP 630 LGVLKQQPPA640 VQFVPPLPEW650 KTSAVQRMGF660 GNLNKVVLCF670 DRVFWDPSVN 680 LFGHVGSTTA690 SRGELFLFWN700 LYKAPILLAL710 VAGEAAGIME720 NISDDVIVGR 730 CLAILKGIFG740 SSAVPQPKET750 VVSRWRADPW760 ARGSYSYVAA770 GSSGNDYDLM 780 AQPITPGPSI790 PGAPQPIPRL800 FFAGEHTIRN810 YPATVHGALL820 SGLREAGRIA 830 DQFLGAMYTL840
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:592 or .A:593 or .A:594 or .A:628 or .A:629 or .A:630 or .A:633 or .A:641 or .A:663 or .A:665 or .A:755 or .A:759 or .A:760 or .A:763 or .A:764 or .A:765 or .A:804 or .A:805 or .A:813 or .A:814 or .A:815 or .A:816 or .A:818; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.962
GLY285
3.275
SER286
4.076
GLY287
2.995
VAL288
3.508
SER289
2.699
GLY290
4.176
LEU307
3.319
GLU308
2.325
ALA309
3.301
ARG310
3.031
GLY314
3.106
GLY315
3.201
ARG316
2.950
VAL317
3.587
LEU329
3.568
GLY330
3.676
ALA331
3.000
MET332
3.051
VAL333
2.869
THR335
4.574
THR592
3.494
ALA593
3.750
VAL594
2.945
THR628
3.447
LEU629
3.273
PRO630
3.458
VAL633
4.204
VAL641
3.920
LEU663
3.739
LYS665
4.056
TRP755
3.447
PRO759
4.865
TRP760
3.201
GLY763
4.763
SER764
3.295
TYR765
3.360
GLY804
3.253
GLU805
2.974
ALA813
4.022
THR814
2.858
VAL815
3.179
HIS816
4.488
ALA818
3.555
|
|||||
| PDB ID: 6KGO LSD1-S2157 five-membered ring adduct model | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [15] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEADITAEF478 LVKSKHRDLT 488 ALCKEYDELA498 ETQGKLEEKL508 QELEANPPSD518 VYLSSRDRQI528 LDWHFANLEF 538 ANATPLSTLS548 LKHWDQDDDF558 EFTGSHLTVR568 NGYSCVPVAL578 AEGLDIKLNT 588 AVRQVRYTAS598 GCEVIAVNTR608 STSQTFIYKC618 DAVLCTLPLG628 VLKQQPPAVQ 638 FVPPLPEWKT648 SAVQRMGFGN658 LNKVVLCFDR668 VFWDPSVNLF678 GHVGSTTASR 688 GELFLFWNLY698 KAPILLALVA708 GEAAGIMENI718 SDDVIVGRCL728 AILKGIFGSS 738 AVPQPKETVV748 SRWRADPWAR758 GSYSYVAAGS768 SGNDYDLMAQ778 PITPGPPIPR 795 LFFAGEHTIR805 NYPATVHGAL815 LSGLREAGRI825 ADQFLGA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.893
GLY285
3.153
SER286
3.809
GLY287
3.528
VAL288
3.630
SER289
2.758
GLY290
4.300
LEU307
3.514
GLU308
2.633
ALA309
3.207
ARG310
2.800
GLY314
3.492
GLY315
3.235
ARG316
2.797
VAL317
3.935
LEU329
3.546
GLY330
3.593
ALA331
3.224
MET332
2.784
VAL333
2.862
TYR571
4.804
THR588
3.665
ALA589
3.723
VAL590
2.925
ARG591
4.610
THR624
3.356
LEU625
3.309
PRO626
3.534
VAL629
4.221
VAL637
3.651
LEU659
3.589
LYS661
4.226
TRP751
3.396
TRP756
3.393
GLY759
4.840
SER760
3.760
TYR761
3.552
GLY800
3.101
GLU801
2.891
ALA809
3.481
THR810
3.259
VAL811
2.871
HIS812
4.670
ALA814
3.439
|
|||||
| PDB ID: 6KGP LSD1-S2157 N5 adduct model | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [15] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEADITAEF478 LVKSKHRDLT 488 ALCKEYDELA498 ETQGKLEEKL508 QELEANPPSD518 VYLSSRDRQI528 LDWHFANLEF 538 ANATPLSTLS548 LKHWDQDDDF558 EFTGSHLTVR568 NGYSCVPVAL578 AEGLDIKLNT 588 AVRQVRYTAS598 GCEVIAVNTR608 STSQTFIYKC618 DAVLCTLPLG628 VLKQQPPAVQ 638 FVPPLPEWKT648 SAVQRMGFGN658 LNKVVLCFDR668 VFWDPSVNLF678 GHVGSTTASR 688 GELFLFWNLY698 KAPILLALVA708 GEAAGIMENI718 SDDVIVGRCL728 AILKGIFGSS 738 AVPQPKETVV748 SRWRADPWAR758 GSYSYVAAGS768 SGNDYDLMAQ778 PITPGPPIPR 795 LFFAGEHTIR805 NYPATVHGAL815 LSGLREAGRI825 ADQFLGA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.905
GLY285
3.171
SER286
3.802
GLY287
3.488
VAL288
3.628
SER289
2.757
GLY290
4.293
LEU307
3.507
GLU308
2.619
ALA309
3.202
ARG310
2.796
GLY314
3.494
GLY315
3.245
ARG316
2.808
VAL317
3.933
LEU329
3.560
GLY330
3.530
ALA331
3.245
MET332
2.801
VAL333
2.729
TYR571
4.763
THR588
3.667
ALA589
3.725
VAL590
2.932
ARG591
4.591
THR624
3.396
LEU625
3.310
PRO626
3.546
VAL629
4.211
VAL637
3.658
LEU659
3.675
LYS661
4.149
TRP751
3.496
TRP756
3.385
GLY759
4.894
SER760
3.767
TYR761
3.483
GLY800
3.103
GLU801
2.884
ALA809
3.479
THR810
3.268
VAL811
2.837
HIS812
4.582
ALA814
3.427
|
|||||
| PDB ID: 6KGQ LSD1-FCPA-MPE five-membered ring adduct model | ||||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [15] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVRDI474 TAEFLVKSKH 484 RDLTALCKEY494 DELAETQGKL504 EEKLQELEAN514 PPSDVYLSSR524 DRQILDWHFA 534 NLEFANATPL544 STLSLKHWDQ554 DDDFEFTGSH564 LTVRNGYSCV574 PVALAEGLDI 584 KLNTAVRQVR594 YTASGCEVIA604 VNTRSTSQTF614 IYKCDAVLCT624 LPLGVLKQQP 634 PAVQFVPPLP644 EWKTSAVQRM654 GFGNLNKVVL664 CFDRVFWDPS674 VNLFGHVGST 684 TASRGELFLF694 WNLYKAPILL704 ALVAGEAAGI714 MENISDDVIV724 GRCLAILKGI 734 FGSSAVPQPK744 ETVVSRWRAD754 PWARGSYSYV764 AAGSSGNDYD774 LMAQPITPGP 784 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG831 A |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.938
GLY285
3.339
SER286
3.862
GLY287
3.580
VAL288
3.690
SER289
2.705
GLY290
4.346
LEU307
3.673
GLU308
2.561
ALA309
3.365
ARG310
2.813
GLY314
3.548
GLY315
3.222
ARG316
2.763
VAL317
4.086
LEU329
3.455
GLY330
3.469
ALA331
3.329
MET332
2.932
VAL333
2.812
TYR571
4.824
THR588
3.717
ALA589
3.676
VAL590
2.908
ARG591
4.072
THR624
3.357
LEU625
3.429
PRO626
3.516
VAL629
4.166
VAL637
3.911
LEU659
3.625
LYS661
4.270
TRP751
3.363
TRP756
3.351
GLY759
4.892
SER760
3.657
TYR761
3.608
GLY800
3.173
GLU801
2.890
ALA809
3.559
THR810
3.172
VAL811
2.809
HIS812
4.658
ALA814
3.509
|
|||||
| PDB ID: 6KGR LSD1-FCPA-MPE N5 adduct model | ||||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [15] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVRDI474 TAEFLVKSKH 484 RDLTALCKEY494 DELAETQGKL504 EEKLQELEAN514 PPSDVYLSSR524 DRQILDWHFA 534 NLEFANATPL544 STLSLKHWDQ554 DDDFEFTGSH564 LTVRNGYSCV574 PVALAEGLDI 584 KLNTAVRQVR594 YTASGCEVIA604 VNTRSTSQTF614 IYKCDAVLCT624 LPLGVLKQQP 634 PAVQFVPPLP644 EWKTSAVQRM654 GFGNLNKVVL664 CFDRVFWDPS674 VNLFGHVGST 684 TASRGELFLF694 WNLYKAPILL704 ALVAGEAAGI714 MENISDDVIV724 GRCLAILKGI 734 FGSSAVPQPK744 ETVVSRWRAD754 PWARGSYSYV764 AAGSSGNDYD774 LMAQPITPGP 784 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG831 A |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.928
GLY285
3.330
SER286
3.853
GLY287
3.649
VAL288
3.652
SER289
2.714
GLY290
4.313
LEU307
3.665
GLU308
2.559
ALA309
3.372
ARG310
2.814
GLY314
3.529
GLY315
3.226
ARG316
2.762
VAL317
4.123
LEU329
3.448
GLY330
3.541
ALA331
3.329
MET332
2.985
VAL333
2.722
TYR571
4.852
THR588
3.716
ALA589
3.675
VAL590
2.896
ARG591
4.069
THR624
3.327
LEU625
3.427
PRO626
3.528
VAL629
4.164
VAL637
3.903
LEU659
3.654
LYS661
4.266
TRP751
3.397
TRP756
3.351
GLY759
4.903
SER760
3.668
TYR761
3.631
GLY800
3.185
GLU801
2.851
ALA809
3.527
THR810
3.145
VAL811
2.765
HIS812
4.616
ALA814
3.488
|
|||||
| PDB ID: 7W3L Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024) | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [16] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEADITAEF478 LVKSKHRDLT 488 ALCKEYDELA498 ETQGKLEEKL508 QELEANPPSD518 VYLSSRDRQI528 LDWHFANLEF 538 ANATPLSTLS548 LKHWDQDDDF558 EFTGSHLTVR568 NGYSCVPVAL578 AEGLDIKLNT 588 AVRQVRYTAS598 GCEVIAVNTR608 STSQTFIYKC618 DAVLCTLPLG628 VLKQQPPAVQ 638 FVPPLPEWKT648 SAVQRMGFGN658 LNKVVLCFDR668 VFWDPSVNLF678 GHVGSTTASR 688 GELFLFWNLY698 KAPILLALVA708 GEAAGIMENI718 SDDVIVGRCL728 AILKGIFGSS 738 AVPQPKETVV748 SRWRADPWAR758 GSYSYVAAGS768 SGNDYDLMAQ778 PITPGPPIPR 795 LFFAGEHTIR805 NYPATVHGAL815 LSGLREAGRI825 ADQFLGA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.962
GLY285
3.189
SER286
3.765
GLY287
3.626
VAL288
3.445
SER289
2.863
GLY290
4.342
LEU307
3.554
GLU308
2.475
ALA309
3.184
ARG310
2.740
GLY314
3.478
GLY315
3.266
ARG316
2.900
VAL317
4.050
LEU329
3.285
GLY330
3.267
ALA331
3.286
MET332
3.262
VAL333
2.905
TYR571
4.912
THR588
3.724
ALA589
3.715
VAL590
2.876
ARG591
4.631
THR624
3.515
LEU625
3.259
PRO626
3.601
VAL629
4.156
VAL637
3.617
LEU659
3.877
LYS661
4.189
TRP751
3.325
PRO755
4.950
TRP756
3.293
GLY759
4.765
SER760
3.648
TYR761
3.425
GLY800
3.183
GLU801
2.933
ALA809
3.174
THR810
2.850
VAL811
2.840
HIS812
4.453
ALA814
3.376
|
|||||
| PDB ID: 5H6Q Crystal structure of LSD1-CoREST in complex with peptide 11 | ||||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [17] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.046
GLY285
3.408
SER286
3.993
GLY287
3.561
VAL288
3.364
SER289
2.641
GLY290
4.390
LEU307
3.637
GLU308
2.535
ALA309
3.312
ARG310
2.901
GLY314
3.543
GLY315
3.479
ARG316
2.839
VAL317
3.908
LEU329
3.534
GLY330
3.008
ALA331
3.181
MET332
3.228
VAL333
2.931
THR335
4.619
TYR571
4.920
THR588
3.653
ALA589
3.701
VAL590
2.942
THR624
3.467
LEU625
3.212
PRO626
3.520
VAL629
4.027
VAL637
3.890
LEU659
3.869
LYS661
3.734
TRP751
3.689
TRP756
3.390
GLY759
4.863
SER760
3.192
TYR761
3.456
GLY800
3.163
GLU801
3.045
ALA809
3.743
THR810
3.058
VAL811
2.916
HIS812
4.322
ALA814
3.390
|
|||||
| PDB ID: 5H6R Crystal structure of LSD1-CoREST in complex with peptide 13 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [17] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 AM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.928
GLY285
3.285
SER286
3.937
GLY287
3.590
VAL288
3.510
SER289
2.675
GLY290
4.330
LEU307
3.598
GLU308
2.587
ALA309
3.392
ARG310
3.009
GLY314
3.542
GLY315
3.233
ARG316
2.829
VAL317
3.835
LEU329
3.495
GLY330
3.136
ALA331
3.282
MET332
3.517
VAL333
2.897
THR335
4.828
THR588
3.619
|
|||||
| PDB ID: 6KGM LSD1-CoREST-S2116 five-membered ring adduct model | ||||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | No | [15] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.016
GLY285
3.169
SER286
3.961
GLY287
3.439
VAL288
3.268
SER289
2.798
GLY290
4.303
LEU307
3.598
GLU308
2.728
ALA309
3.152
ARG310
2.765
GLY314
3.422
GLY315
3.197
ARG316
2.807
VAL317
3.647
LEU329
3.513
GLY330
3.300
ALA331
3.376
MET332
2.765
VAL333
2.798
TYR571
4.791
THR588
3.599
|
|||||
| PDB ID: 6KGN LSD1-CoREST-S2116 N5 adduct model | ||||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | No | [15] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.017
GLY285
3.176
SER286
3.967
GLY287
3.455
VAL288
3.305
SER289
2.801
GLY290
4.298
LEU307
3.600
GLU308
2.723
ALA309
3.141
ARG310
2.767
GLY314
3.442
GLY315
3.204
ARG316
2.821
VAL317
3.662
LEU329
3.515
GLY330
3.323
ALA331
3.389
MET332
2.740
VAL333
2.615
TYR571
4.710
THR588
3.593
|
|||||
| PDB ID: 7CDC Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.64 Å | Mutation | No | [18] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.956
GLY285
3.296
SER286
4.052
GLY287
3.489
VAL288
3.483
SER289
2.517
GLY290
4.273
LEU307
3.472
GLU308
2.530
ALA309
3.282
ARG310
2.981
GLY314
3.433
GLY315
3.299
ARG316
2.913
VAL317
3.728
LEU329
3.487
GLY330
3.299
ALA331
3.269
MET332
3.412
VAL333
2.915
THR335
4.723
THR588
3.703
|
|||||
| PDB ID: 7CDE Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [18] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.057
GLY285
3.353
SER286
4.097
GLY287
3.315
VAL288
3.431
SER289
2.541
GLY290
4.225
LEU307
3.750
GLU308
2.503
ALA309
3.312
ARG310
2.983
GLY314
3.432
GLY315
3.352
ARG316
2.529
VAL317
3.786
LEU329
3.542
GLY330
3.255
ALA331
3.245
MET332
3.295
VAL333
2.884
THR335
4.827
TYR571
4.843
THR588
3.669
ALA589
3.727
VAL590
2.945
THR624
3.376
LEU625
3.337
PRO626
3.593
VAL629
4.027
VAL637
3.753
LEU659
3.579
LYS661
3.898
TRP751
3.704
PRO755
4.793
TRP756
3.401
GLY759
4.939
SER760
3.298
TYR761
3.296
GLY800
3.182
GLU801
3.170
ALA809
3.699
THR810
2.997
VAL811
2.911
HIS812
4.316
ALA814
3.512
|
|||||
| PDB ID: 7CDF Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [18] |
| PDB Sequence |
HMSGVEGAAF
179 QSRLPHDRMT189 SQEAACFPDI199 ISGPQQTQKV209 FLFIRNRTLQ219 LWLDNPKIQL 229 TFEATLQQLE239 APYNSDTVLV249 HRVHSYLERH259 GLINFGIYKR269 IKPLPTKKTG 279 KVIIIGSGVS289 GLAAARQLQS299 FGMDVTLLEA309 RDRVGGRVAT319 FRKGNYVADL 329 GAMVVTGLGG339 NPMAVVSKQV349 NMELAKIKQK359 CPLYEANGQA369 VPKEKDEMVE 379 QEFNRLLEAT389 SYLSHQLDFN399 VLNNKPVSLG409 QALEVVIQLQ419 EKHVKDEQIE 429 HWKKIVKTQE439 ELKELLNKMV449 NLKEKIKELH459 QQYKEASEVK469 PPRDITAEFL 479 VKSKHRDLTA489 LCKEYDELAE499 TQGKLEEKLQ509 ELEANPPSDV519 YLSSRDRQIL 529 DWHFANLEFA539 NATPLSTLSL549 KHWDQDDDFE559 FTGSHLTVRN569 GYSCVPVALA 579 EGLDIKLNTA589 VRQVRYTASG599 CEVIAVNTRS609 TSQTFIYKCD619 AVLCTLPLGV 629 LKQQPPAVQF639 VPPLPEWKTS649 AVQRMGFGNL659 NKVVLCFDRV669 FWDPSVNLFG 679 HVGSTTASRG689 ELFLFWNLYK699 APILLALVAG709 EAAGIMENIS719 DDVIVGRCLA 729 ILKGIFGSSA739 VPQPKETVVS749 RWRADPWARG759 SYSYVAAGSS769 GNDYDLMAQP 779 ITPGPSIPGA789 PQPIPRLFFA799 GEHTIRNYPA809 TVHGALLSGL819 REAGRIADQF 829 LGA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.990
GLY285
3.245
SER286
3.885
GLY287
3.422
VAL288
3.479
SER289
2.496
GLY290
4.259
LEU307
3.698
GLU308
2.525
ALA309
3.284
ARG310
3.038
GLY314
3.391
GLY315
3.277
ARG316
2.968
VAL317
3.828
LEU329
3.525
GLY330
3.285
ALA331
3.185
MET332
3.333
VAL333
2.946
THR335
4.734
THR588
3.662
ALA589
3.725
VAL590
2.948
THR624
3.376
LEU625
3.355
PRO626
3.483
VAL629
4.048
VAL637
3.755
LEU659
3.672
LYS661
3.884
TRP751
3.788
PRO755
4.785
TRP756
3.357
GLY759
4.969
SER760
3.277
TYR761
3.239
GLY800
3.122
GLU801
3.157
ALA809
3.598
THR810
3.024
VAL811
2.837
HIS812
4.202
ALA814
3.464
|
|||||
| PDB ID: 5X60 Crystal structure of LSD1-CoREST in complex with peptide 9 | ||||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | No | [17] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 AM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.941
GLY285
3.346
SER286
4.047
GLY287
3.462
VAL288
3.403
SER289
2.600
GLY290
4.280
LEU307
3.489
GLU308
2.592
ALA309
3.355
ARG310
3.035
GLY314
3.561
GLY315
3.341
ARG316
2.905
VAL317
3.768
LEU329
3.443
GLY330
3.064
ALA331
3.328
MET332
3.382
VAL333
2.989
THR335
4.672
THR588
3.597
|
|||||
| PDB ID: 6KGK LSD1-CoREST-S2101 five-membered ring adduct model | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [15] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:802 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.946
GLY285
3.148
SER286
3.986
GLY287
3.374
VAL288
3.288
SER289
2.674
GLY290
4.267
LEU307
3.521
GLU308
2.670
ALA309
3.194
ARG310
2.810
GLY314
3.403
GLY315
3.178
ARG316
2.836
VAL317
3.614
LEU329
3.514
GLY330
3.301
ALA331
3.408
MET332
2.792
VAL333
2.829
TYR571
4.761
THR588
3.618
ALA589
3.650
VAL590
2.845
THR624
3.356
LEU625
3.279
PRO626
3.440
VAL629
4.138
VAL637
3.743
LEU659
3.748
LYS661
3.974
TRP751
3.552
PRO755
4.800
TRP756
3.197
SER760
3.661
TYR761
3.479
GLY800
2.957
GLU801
2.981
HIS802
4.996
ALA809
3.415
THR810
3.031
VAL811
2.915
HIS812
4.591
ALA814
3.437
|
|||||
| PDB ID: 6KGL LSD1-CoREST-S2101 N5 adduct model | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [15] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:802 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.951
GLY285
3.141
SER286
3.991
GLY287
3.392
VAL288
3.308
SER289
2.687
GLY290
4.236
LEU307
3.487
GLU308
2.666
ALA309
3.175
ARG310
2.784
GLY314
3.376
GLY315
3.193
ARG316
2.860
VAL317
3.639
LEU329
3.486
GLY330
3.305
ALA331
3.378
MET332
2.788
VAL333
2.653
TYR571
4.710
THR588
3.605
ALA589
3.649
VAL590
2.847
THR624
3.438
LEU625
3.271
PRO626
3.494
VAL629
4.144
VAL637
3.793
LEU659
3.803
LYS661
3.973
TRP751
3.563
PRO755
4.802
TRP756
3.189
GLY759
4.993
SER760
3.624
TYR761
3.389
GLY800
2.956
GLU801
3.011
HIS802
4.995
ALA809
3.344
THR810
3.022
VAL811
2.852
HIS812
4.472
ALA814
3.440
|
|||||
| PDB ID: 7CDD Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.76 Å | Mutation | No | [18] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.943
GLY285
3.323
SER286
4.020
GLY287
3.400
VAL288
3.422
SER289
2.542
GLY290
4.265
LEU307
3.633
GLU308
2.499
ALA309
3.324
ARG310
3.030
GLY314
3.395
GLY315
3.358
ARG316
2.931
VAL317
3.854
LEU329
3.518
GLY330
3.374
ALA331
3.209
MET332
3.301
VAL333
2.899
THR335
4.715
TYR571
4.870
THR588
3.686
ALA589
3.745
VAL590
2.944
THR624
3.450
LEU625
3.300
PRO626
3.543
VAL629
4.092
VAL637
3.813
LEU659
3.634
LYS661
3.910
TRP751
3.682
PRO755
4.855
TRP756
3.374
SER760
3.329
TYR761
3.337
GLY800
3.134
GLU801
3.164
ALA809
3.548
THR810
3.000
VAL811
2.902
HIS812
4.216
ALA814
3.490
|
|||||
| PDB ID: 7CDG Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [18] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.960
GLY285
3.266
SER286
3.852
GLY287
3.341
VAL288
3.494
SER289
2.566
GLY290
4.186
LEU307
3.787
GLU308
2.434
ALA309
3.344
ARG310
3.013
GLY314
3.554
GLY315
3.295
ARG316
2.915
VAL317
3.831
LEU329
3.628
GLY330
3.215
ALA331
3.244
MET332
3.356
VAL333
2.984
THR335
4.696
THR588
3.656
ALA589
3.681
VAL590
2.946
THR624
3.509
LEU625
3.261
PRO626
3.520
VAL629
4.080
VAL637
3.732
LEU659
3.548
LYS661
3.900
TRP751
3.869
PRO755
4.809
TRP756
3.361
GLY759
4.954
SER760
3.290
TYR761
3.270
GLY800
3.103
GLU801
3.145
ALA809
3.544
THR810
2.977
VAL811
2.860
HIS812
4.188
ALA814
3.482
|
|||||
| PDB ID: 7VQT Crystal structure of LSD1 in complex with compound 5 | ||||||
| Method | X-ray diffraction | Resolution | 2.91 Å | Mutation | No | [19] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEADITAEF478 LVKSKHRDLT 488 ALCKEYDELA498 ETQGKLEEKL508 QELEANPPSD518 VYLSSRDRQI528 LDWHFANLEF 538 ANATPLSTLS548 LKHWDQDDDF558 EFTGSHLTVR568 NGYSCVPVAL578 AEGLDIKLNT 588 AVRQVRYTAS598 GCEVIAVNTR608 STSQTFIYKC618 DAVLCTLPLG628 VLKQQPPAVQ 638 FVPPLPEWKT648 SAVQRMGFGN658 LNKVVLCFDR668 VFWDPSVNLF678 GHVGSTTASR 688 GELFLFWNLY698 KAPILLALVA708 GEAAGIMENI718 SDDVIVGRCL728 AILKGIFGSS 738 AVPQPKETVV748 SRWRADPWAR758 GSYSYVAAGS768 SGNDYDLMAQ778 PITPGPPIPR 795 LFFAGEHTIR805 NYPATVHGAL815 LSGLREAGRI825 ADQFLGA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.986
GLY285
3.265
SER286
3.706
GLY287
3.410
VAL288
3.583
SER289
2.767
GLY290
4.231
LEU307
3.663
GLU308
2.504
ALA309
3.005
ARG310
2.906
GLY314
3.553
GLY315
3.219
ARG316
2.818
VAL317
4.198
LEU329
3.787
GLY330
3.448
ALA331
3.305
MET332
2.864
VAL333
2.823
TYR571
4.847
THR588
3.564
ALA589
3.615
VAL590
2.905
ARG591
4.827
THR624
3.299
LEU625
3.264
PRO626
3.461
VAL629
4.089
VAL637
3.729
LEU659
4.127
LYS661
4.266
TRP751
3.398
PRO755
4.972
TRP756
3.455
SER760
3.685
TYR761
3.496
GLY800
3.150
GLU801
2.986
ALA809
3.431
THR810
2.552
VAL811
2.620
HIS812
4.366
ALA814
3.587
|
|||||
| PDB ID: 7VQS Crystal structure of LSD1 in complex with compound 4 | ||||||
| Method | X-ray diffraction | Resolution | 2.94 Å | Mutation | No | [19] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEADITAEF478 LVKSKHRDLT 488 ALCKEYDELA498 ETQGKLEEKL508 QELEANPPSD518 VYLSSRDRQI528 LDWHFANLEF 538 ANATPLSTLS548 LKHWDQDDDF558 EFTGSHLTVR568 NGYSCVPVAL578 AEGLDIKLNT 588 AVRQVRYTAS598 GCEVIAVNTR608 STSQTFIYKC618 DAVLCTLPLG628 VLKQQPPAVQ 638 FVPPLPEWKT648 SAVQRMGFGN658 LNKVVLCFDR668 VFWDPSVNLF678 GHVGSTTASR 688 GELFLFWNLY698 KAPILLALVA708 GEAAGIMENI718 SDDVIVGRCL728 AILKGIFGSS 738 AVPQPKETVV748 SRWRADPWAR758 GSYSYVAAGS768 SGNDYDLMAQ778 PITPGPPIPR 795 LFFAGEHTIR805 NYPATVHGAL815 LSGLREAGRI825 ADQFLGA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.941
GLY285
3.346
SER286
3.841
GLY287
3.491
VAL288
3.475
SER289
2.882
GLY290
4.249
LEU307
3.766
GLU308
2.559
ALA309
3.134
ARG310
2.894
GLY314
3.617
GLY315
3.155
ARG316
2.804
VAL317
4.262
LEU329
3.452
GLY330
3.321
ALA331
3.275
MET332
2.964
VAL333
2.707
TYR571
4.861
THR588
3.643
ALA589
3.629
VAL590
2.946
ARG591
4.644
THR624
3.207
LEU625
3.320
PRO626
3.457
VAL629
4.113
VAL637
3.794
LEU659
4.200
LYS661
3.766
TRP751
3.447
PRO755
4.723
TRP756
3.220
SER760
3.538
TYR761
3.425
GLY800
3.063
GLU801
3.101
ALA809
3.313
THR810
2.648
VAL811
2.535
HIS812
4.320
ALA814
3.388
|
|||||
| PDB ID: 7VQU Crystal structure of LSD1 in complex with compound S1427 | ||||||
| Method | X-ray diffraction | Resolution | 2.94 Å | Mutation | No | [19] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEADITAEF478 LVKSKHRDLT 488 ALCKEYDELA498 ETQGKLEEKL508 QELEANPPSD518 VYLSSRDRQI528 LDWHFANLEF 538 ANATPLSTLS548 LKHWDQDDDF558 EFTGSHLTVR568 NGYSCVPVAL578 AEGLDIKLNT 588 AVRQVRYTAS598 GCEVIAVNTR608 STSQTFIYKC618 DAVLCTLPLG628 VLKQQPPAVQ 638 FVPPLPEWKT648 SAVQRMGFGN658 LNKVVLCFDR668 VFWDPSVNLF678 GHVGSTTASR 688 GELFLFWNLY698 KAPILLALVA708 GEAAGIMENI718 SDDVIVGRCL728 AILKGIFGSS 738 AVPQPKETVV748 SRWRADPWAR758 GSYSYVAAGS768 SGNDYDLMAQ778 PITPPIPRLF 797 FAGEHTIRNY807 PATVHGALLS817 GLREAGRIAD827 QFLGA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.172
GLY285
3.417
SER286
3.966
GLY287
3.354
VAL288
3.397
SER289
2.989
GLY290
4.278
LEU307
3.741
GLU308
2.565
ALA309
3.024
ARG310
2.909
GLY314
3.521
GLY315
3.249
ARG316
2.864
VAL317
4.376
LEU329
3.372
GLY330
3.330
ALA331
3.329
MET332
2.848
VAL333
2.571
TYR571
4.908
THR588
3.643
ALA589
3.645
VAL590
2.973
ARG591
4.859
THR624
3.235
LEU625
3.343
PRO626
3.688
VAL629
4.180
VAL637
3.790
LEU659
4.162
LYS661
4.106
TRP751
3.317
PRO755
4.771
TRP756
3.217
SER760
3.525
TYR761
3.524
GLY800
3.020
GLU801
3.113
ALA809
3.310
THR810
2.750
VAL811
2.613
HIS812
4.396
ALA814
3.418
|
|||||
| PDB ID: 5YJB LSD1-CoREST in complex with 4-[5-(piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.96 Å | Mutation | No | [20] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.020
GLY285
3.265
SER286
4.015
GLY287
3.200
VAL288
3.049
SER289
2.911
GLY290
4.128
LEU307
3.699
GLU308
2.540
ALA309
3.001
ARG310
2.979
GLY314
3.514
GLY315
3.197
ARG316
2.785
VAL317
3.631
LEU329
3.774
GLY330
2.934
ALA331
2.960
MET332
2.848
VAL333
2.708
THR335
4.877
TYR571
4.879
THR588
3.434
ALA589
3.537
VAL590
2.863
THR624
3.359
LEU625
3.235
PRO626
3.412
VAL629
4.182
VAL637
3.645
LEU659
3.617
LYS661
4.609
TRP751
3.564
TRP756
3.237
GLY759
4.707
SER760
3.273
TYR761
3.350
GLY800
3.100
GLU801
2.989
ALA809
3.736
THR810
3.068
VAL811
2.962
HIS812
4.285
ALA814
3.766
|
|||||
| PDB ID: 2IW5 Structural Basis for CoREST-Dependent Demethylation of Nucleosomes by the Human LSD1 Histone Demethylase | ||||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [21] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.947
GLY285
3.200
SER286
3.968
GLY287
3.525
VAL288
3.391
SER289
2.811
GLY290
4.332
LEU307
3.496
GLU308
2.628
ALA309
3.210
ARG310
2.912
GLY314
3.498
GLY315
3.223
ARG316
2.765
VAL317
3.612
LEU329
3.362
GLY330
3.333
ALA331
3.417
MET332
3.212
VAL333
2.831
TYR571
4.795
THR588
3.565
|
|||||
| PDB ID: 4XBF Structure of LSD1:CoREST in complex with ssRNA | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [22] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:334 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:636 or .A:637 or .A:659 or .A:660 or .A:661 or .A:751 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:802 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.419
GLY285
2.484
SER286
2.923
GLY287
2.604
VAL288
3.089
SER289
1.909
GLY290
3.475
LEU307
3.192
GLU308
2.047
ALA309
2.630
ARG310
2.300
VAL313
4.887
GLY314
3.414
GLY315
2.436
ARG316
2.047
VAL317
2.629
LEU329
2.453
GLY330
2.514
ALA331
2.316
MET332
2.527
VAL333
1.946
VAL334
4.055
THR335
3.198
TYR571
4.318
THR588
2.905
ALA589
2.945
VAL590
2.287
ARG591
4.700
THR624
2.123
LEU625
2.775
PRO626
2.314
VAL629
2.937
ALA636
4.468
VAL637
2.509
LEU659
2.141
ASN660
4.308
LYS661
2.461
TRP751
2.854
PRO755
4.884
TRP756
2.463
ALA757
4.301
GLY759
4.159
SER760
2.156
TYR761
2.392
GLY800
2.464
GLU801
1.966
HIS802
4.661
ALA809
3.046
THR810
2.330
VAL811
2.236
HIS812
3.664
ALA814
2.880
|
|||||
| PDB ID: 4KUM Structure of LSD1-CoREST-Tetrahydrofolate complex | ||||||
| Method | X-ray diffraction | Resolution | 3.05 Å | Mutation | No | [23] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.941
GLY285
3.279
SER286
3.792
GLY287
3.460
VAL288
3.463
SER289
2.732
GLY290
4.349
LEU307
3.550
GLU308
2.546
ALA309
3.223
ARG310
2.671
GLY314
3.528
GLY315
3.238
ARG316
2.780
VAL317
3.573
LEU329
3.845
GLY330
3.309
ALA331
3.113
MET332
3.096
VAL333
2.841
THR335
4.619
TYR571
4.360
THR588
3.578
ALA589
3.691
VAL590
2.966
THR624
3.646
LEU625
3.223
PRO626
3.331
VAL629
4.282
VAL637
3.785
LEU659
3.755
LYS661
4.142
TRP751
3.790
TRP756
3.230
GLY759
4.707
SER760
3.176
TYR761
3.383
GLY800
3.267
GLU801
2.966
ALA809
3.611
THR810
2.880
VAL811
3.094
HIS812
4.510
ALA814
3.318
|
|||||
| PDB ID: 6S35 LSD1/CoREST1 complex with macrocyclic peptide inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [24] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK 481 SKHRDLTALC491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW 531 HFANLEFANA541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG 581 LDIKLNTAVR591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK 631 QQPPAVQFVP641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV 681 GSTTASRGEL691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL 731 KGIFGSSAVP741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT 781 PGPSIPGAPQ791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG 831 AM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.274
GLY285
3.670
SER286
3.677
GLY287
3.114
VAL288
3.508
SER289
2.718
GLY290
4.115
LEU307
3.636
GLU308
1.971
ALA309
3.343
ARG310
3.081
GLY314
3.412
GLY315
3.624
ARG316
2.862
VAL317
3.600
LEU329
3.518
GLY330
3.011
ALA331
3.130
MET332
3.191
VAL333
2.938
THR335
4.305
TYR571
4.508
THR588
3.711
ALA589
3.768
VAL590
2.972
THR624
3.640
LEU625
3.320
PRO626
3.626
VAL629
4.009
VAL637
3.506
LEU659
4.144
LYS661
4.045
TRP751
3.689
TRP756
3.620
GLY759
4.789
SER760
3.278
TYR761
3.277
GLY800
3.311
GLU801
3.085
ALA809
3.776
THR810
2.957
VAL811
3.030
HIS812
4.360
ALA814
3.667
|
|||||
| PDB ID: 6WC6 Crystal structure of a truncated LSD1:CoREST in the presence of an LSD1-NT peptide | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [25] |
| PDB Sequence |
PSGVEGAAFQ
180 SRLPHDRMTS190 QEAACFPDII200 SGPQQTQKVF210 LFIRNRTLQL220 WLDNPKIQLT 230 FEATLQQLEA240 PYNSDTVLVH250 RVHSYLERHG260 LINFGIYKRI270 KPLPTKKTGK 280 VIIIGSGVSG290 LAAARQLQSF300 GMDVTLLEAR310 DRVGGRVATF320 RKGNYVADLG 330 AMVVTGLGGN340 PMAVVSKQVN350 MELAKIKQKC360 PLYEANGQAV370 PKEKDEMVEQ 380 EFNRLLEATS390 YLSHQLDFNV400 LNNKPVSLGQ410 ALEVVIQLQE420 KHVKDEQIEH 430 WKKIVKTQEE440 LKELLNKMVN450 LKEKIKELHQ460 QYKEASEVKP470 PRDITAEFLV 480 KSKHRDLTAL490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD 530 WHFANLEFAN540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE 580 GLDIKLNTAV590 RQVRYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL 630 KQQPPAVQFV640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH 680 VGSTTASRGE690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI 730 LKGIFGSSAV740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI 780 TPGPSIPGAP790 QPIPRLFFAG800 EHTIRNYPAT810 VHGALLSGLR820 EAGRIADQFL 830 GAMYTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.187
GLY285
3.319
SER286
4.354
GLY287
3.368
VAL288
3.315
SER289
3.314
GLY290
4.362
LEU307
3.605
GLU308
2.494
ALA309
3.191
ARG310
2.701
GLY314
3.478
GLY315
3.104
ARG316
2.968
VAL317
3.421
LEU329
3.343
GLY330
3.269
ALA331
1.498
MET332
3.178
VAL333
3.159
THR588
3.632
|
|||||
| PDB ID: 2HKO Crystal structure of LSD1 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [26] |
| PDB Sequence |
GVEGAAFQSR
182 LPHDRMTSQE192 AACFPDIISG202 PQQTQKVFLF212 IRNRTLQLWL222 DNPKIQLTFE 232 ATLQQLEAPY242 NSDTVLVHRV252 HSYLERHGLI262 NFGIYKRIKP272 LPTKKTGKVI 282 IIGSGVSGLA292 AARQLQSFGM302 DVTLLEARDR312 VGGRVATFRK322 GNYVADLGAM 332 VVTGLGGNPM342 AVVSKQVNME352 LAKIKQKCPL362 YEANGQAVPK372 EKDEMVEQEF 382 NRLLEATSYL392 SHQLDFNVLN402 NKPVSLGQAL412 EVVIQLQEKH422 VKDEQIEHWK 432 KIVKTQEELK442 ELLNKMVNLK452 EKIKELHQQY462 KEAITAEFLV480 KSKHRDLTAL 490 CKEYDELAET500 QGKLEEKLQE510 LEANPPSDVY520 LSSRDRQILD530 WHFANLEFAN 540 ATPLSTLSLK550 HWDQDDDFEF560 TGSHLTVRNG570 YSCVPVALAE580 GLDIKLNTAV 590 RQVQYTASGC600 EVIAVNTRST610 SQTFIYKCDA620 VLCTLPLGVL630 KQQPPAVQFV 640 PPLPEWKTSA650 VQRMGFGNLN660 KVVLCFDRVF670 WDPSVNLFGH680 VGSTTASRGE 690 LFLFWNLYKA700 PILLALVAGE710 AAGIMENISD720 DVIVGRCLAI730 LKGIFGSSAV 740 PQPKETVVSR750 WRADPWARGS760 YSYVAAGSSG770 NDYDLMAQPI780 TPGPSQPIPR 795 LFFAGEHTIR805 NYPATVHGAL815 LSGLREAGRI825 ADQFLGA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
4.107
GLY285
3.136
SER286
3.821
GLY287
3.571
VAL288
3.415
SER289
2.705
GLY290
4.228
LEU307
3.468
GLU308
2.546
ALA309
3.158
ARG310
2.813
GLY314
3.136
GLY315
3.339
ARG316
2.593
VAL317
3.870
LEU329
3.525
GLY330
3.227
ALA331
3.362
MET332
3.305
VAL333
3.146
THR588
3.542
|
|||||
| PDB ID: 2H94 Crystal Structure and Mechanism of human Lysine-Specific Demethylase-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [27] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHQQ461 YKEASTAEFL479 VKSKHRDLTA 489 LCKEYDELAE499 TQGKLEEKLQ509 ELEANPPSDV519 YLSSRDRQIL529 DWHFANLEFA 539 NATPLSTLSL549 KHWDQDDDFE559 FTGSHLTVRN569 GYSCVPVALA579 EGLDIKLNTA 589 VRQVRYTASG599 CEVIAVNTRS609 TSQTFIYKCD619 AVLCTLPLGV629 LKQQPPAVQF 639 VPPLPEWKTS649 AVQRMGFGNL659 NKVVLCFDRV669 FWDPSVNLFG679 HVGSTTASRG 689 ELFLFWNLYK699 APILLALVAG709 EAAGIMENIS719 DDVIVGRCLA729 ILKGIFGSSA 739 VPQPKETVVS749 RWRADPWARG759 SYSYVAAGSS769 GNDYDLMAQP779 ITPGIPRLFF 798 AGEHTIRNYP808 ATVHGALLSG818 LREAGRIADQ828 FLGAMYT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:660 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.814
GLY285
3.012
SER286
3.753
GLY287
2.968
VAL288
3.294
SER289
2.510
GLY290
4.008
LEU307
3.256
GLU308
2.862
ALA309
3.314
ARG310
2.530
GLY314
3.728
GLY315
2.787
ARG316
2.572
VAL317
4.134
LEU329
3.557
GLY330
3.202
ALA331
3.354
MET332
3.211
VAL333
2.809
THR588
4.110
ALA589
3.936
|
|||||
| PDB ID: 2DW4 Crystal structure of human LSD1 at 2.3 A resolution | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [28] |
| PDB Sequence |
SGVEGAAFQS
181 RLPHDRMTSQ191 EAACFPDIIS201 GPQQTQKVFL211 FIRNRTLQLW221 LDNPKIQLTF 231 EATLQQLEAP241 YNSDTVLVHR251 VHSYLERHGL261 INFGIYKRIK271 PLPTKKTGKV 281 IIIGSGVSGL291 AAARQLQSFG301 MDVTLLEARD311 RVGGRVATFR321 KGNYVADLGA 331 MVVTGLGGNP341 MAVVSKQVNM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE 381 FNRLLEATSY391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW 431 KKIVKTQEEL441 KELLNKMVNL451 KEKIKELHTA476 EFLVKSKHRD486 LTALCKEYDE 496 LAETQGKLEE506 KLQELEANPP516 SDVYLSSRDR526 QILDWHFANL536 EFANATPLST 546 LSLKHWDQDD556 DFEFTGSHLT566 VRNGYSCVPV576 ALAEGLDIKL586 NTAVRQVRYT 596 ASGCEVIAVN606 TRSTSQTFIY616 KCDAVLCTLP626 LGVLKQQPPA636 VQFVPPLPEW 646 KTSAVQRMGF656 GNLNKVVLCF666 DRVFWDPSVN676 LFGHVGSTTA686 SRGELFLFWN 696 LAPILLALVA708 GEAAGIMENI718 SDDVIVGRCL728 AILKGIFGSS738 AVPQPKETVV 748 SRWRADPWAR758 GSYSYVAAGS768 SGNDYDLMAQ778 PITPPIPRLF797 FAGEHTIRNY 807 PATVHGALLS817 GLREAGRIAD827 QFLG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.898
GLY285
3.244
SER286
3.819
GLY287
3.370
VAL288
3.537
SER289
2.631
GLY290
4.254
LEU307
3.427
GLU308
2.537
ALA309
3.152
ARG310
2.794
GLY314
3.640
GLY315
3.309
ARG316
2.921
VAL317
4.071
LEU329
3.440
GLY330
3.478
ALA331
3.245
MET332
3.083
VAL333
2.917
TYR571
4.924
THR588
3.581
ALA589
3.706
VAL590
2.955
ARG591
4.125
THR624
3.370
LEU625
3.257
PRO626
3.465
VAL629
4.410
VAL637
4.416
LEU659
3.526
LYS661
4.181
TRP751
3.295
TRP756
3.433
GLY759
4.755
SER760
3.480
TYR761
3.439
GLY800
3.165
GLU801
2.967
ALA809
3.668
THR810
3.215
VAL811
2.769
HIS812
4.425
ALA814
3.430
|
|||||
| PDB ID: 6W4K Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | ||||||
| Method | X-ray diffraction | Resolution | 2.93 Å | Mutation | No | [29] |
| PDB Sequence |
VEGAAFQSRL
183 PHDRMTSQEA193 ACFPDIISGP203 QQTQKVFLFI213 RNRTLQLWLD223 NPKIQLTFEA 233 TLQQLEAPYN243 SDTVLVHRVH253 SYLERHGLIN263 FGIYKRIKPL273 PTKKTGKVII 283 IGSGVSGLAA293 ARQLQSFGMD303 VTLLEARDRV313 GGRVATFRKG323 NYVADLGAMV 333 VTGLGGNPMM351 ELAKIKQKCP361 LYEANGQAVP371 KEKDEMVEQE381 FNRLLEATSY 391 LSHQLDFNVL401 NNKPVSLGQA411 LEVVIQLQEK421 HVKDEQIEHW431 KKIVKTQEEL 441 KELLNKMVNL451 KEKIKELHQQ461 YKEASEVKPP471 RDITAEFLVK481 SKHRDLTALC 491 KEYDELAETQ501 GKLEEKLQEL511 EANPPSDVYL521 SSRDRQILDW531 HFANLEFANA 541 TPLSTLSLKH551 WDQDDDFEFT561 GSHLTVRNGY571 SCVPVALAEG581 LDIKLNTAVR 591 QVRYTASGCE601 VIAVNTRSTS611 QTFIYKCDAV621 LCTLPLGVLK631 QQPPAVQFVP 641 PLPEWKTSAV651 QRMGFGNLNK661 VVLCFDRVFW671 DPSVNLFGHV681 GSTTASRGEL 691 FLFWNLYKAP701 ILLALVAGEA711 AGIMENISDD721 VIVGRCLAIL731 KGIFGSSAVP 741 QPKETVVSRW751 RADPWARGSY761 SYVAAGSSGN771 DYDLMAQPIT781 PGPSIPGAPQ 791 PIPRLFFAGE801 HTIRNYPATV811 HGALLSGLRE821 AGRIADQFLG831 A |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:571 or .A:588 or .A:589 or .A:590 or .A:624 or .A:625 or .A:626 or .A:629 or .A:637 or .A:659 or .A:661 or .A:751 or .A:755 or .A:756 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.957
GLY285
3.355
SER286
4.040
GLY287
3.304
VAL288
3.195
SER289
2.876
GLY290
4.269
LEU307
3.465
GLU308
2.484
ALA309
3.142
ARG310
2.871
GLY314
3.387
GLY315
3.123
ARG316
2.753
VAL317
3.655
LEU329
3.627
GLY330
3.366
ALA331
3.148
MET332
3.039
VAL333
2.865
TYR571
4.408
THR588
3.485
ALA589
3.608
VAL590
2.883
THR624
3.298
LEU625
3.182
PRO626
3.301
VAL629
4.073
VAL637
3.814
LEU659
3.760
LYS661
4.362
TRP751
3.491
PRO755
4.945
TRP756
3.327
GLY759
4.694
SER760
3.311
TYR761
3.324
GLY800
3.054
GLU801
3.021
ALA809
3.605
THR810
2.796
VAL811
3.050
HIS812
4.520
ALA814
3.265
|
|||||
| PDB ID: 6NQM Crystal structure of Human LSD1 | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [30] |
| PDB Sequence |
GVEGAAFQSR
182 LPHDRMTSQE192 AACFPDIISG202 PQQTQKVFLF212 IRNRTLQLWL222 DNPKIQLTFE 232 ATLQQLEAPY242 NSDTVLVHRV252 HSYLERHGLI262 NFGIYKRIKP272 LPTKKTGKVI 282 IIGSGVSGLA292 AARQLQSFGM302 DVTLLEARDR312 VGGRVATFRK322 GNYVADLGAM 332 VVTGLGGNPM342 AVVSKQVNME352 LAKIKQKCPL362 YEANGQAVPK372 EKDEMVEQEF 382 NRLLEATSYL392 SHQLDFNVLN402 NKPVSLGQAL412 EVVIQLQEKH422 VKDEQIEHWK 432 KIVKTQEELK442 ELLNKMVNLK452 EKIKELHQQT475 AEFLVKSKHR485 DLTALCKEYD 495 ELAETQGKLE505 EKLQELEANP515 PSDVYLSSRD525 RQILDWHFAN535 LEFANATPLS 545 TLSLKHWDQD555 DDFEFTGSHL565 TVRNGYSCVP575 VALAEGLDIK585 LNTAVRQVRY 595 TASGCEVIAV605 NTRSTSQTFI615 YKCDAVLCTL625 PLGVLKQQPP635 AVQFVPPLPE 645 WKTSAVQRMG655 FGNLNKVVLC665 FDRVFWDPSV675 NLFGHVGSTT685 ASRGELFLFW 695 NLYKAPILLA705 LVAGEAAGIM715 ENISDDVIVG725 RCLAILKGIF735 GSSAVPQPKE 745 TVVSRWRADP755 WARGSYSYVA765 AGSSGNDYDL775 MAQPITPPIP794 RLFFAGEHTI 804 RNYPATVHGA814 LLSGLREAGR824 IADQFL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:307 or .A:308 or .A:309 or .A:310 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:334 or .A:335 or .A:571 or .A:588 or .A:589 or .A:590 or .A:591 or .A:624 or .A:625 or .A:626 or .A:629 or .A:636 or .A:637 or .A:659 or .A:660 or .A:661 or .A:749 or .A:751 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:761 or .A:800 or .A:801 or .A:809 or .A:810 or .A:811 or .A:812 or .A:814; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE284
3.255
GLY285
2.645
SER286
2.593
GLY287
2.459
VAL288
3.268
SER289
2.674
GLY290
3.575
LEU307
3.116
GLU308
2.378
ALA309
2.682
ARG310
1.706
ARG312
4.584
VAL313
4.785
GLY314
3.358
GLY315
2.443
ARG316
1.923
VAL317
3.060
LEU329
3.026
GLY330
2.780
ALA331
2.298
MET332
2.552
VAL333
2.158
VAL334
4.414
THR335
3.229
TYR571
4.389
THR588
3.345
ALA589
2.998
VAL590
2.320
ARG591
4.573
THR624
2.690
LEU625
2.878
PRO626
2.383
VAL629
3.004
ALA636
4.010
VAL637
3.120
LEU659
2.894
ASN660
4.220
LYS661
2.148
SER749
4.863
TRP751
2.649
PRO755
4.954
TRP756
2.583
ALA757
4.539
GLY759
3.988
SER760
2.051
TYR761
2.049
GLY800
2.518
GLU801
2.068
ALA809
2.947
THR810
2.523
VAL811
2.053
HIS812
3.897
ALA814
2.243
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum Mol Genet. 2016 Jun 15;25(12):2578-2587. | ||||
| REF 2 | Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells. doi:10.1039/C4MD00507D. | ||||
| REF 3 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J Med Chem. 2017 Mar 9;60(5):1693-1715. | ||||
| REF 4 | Biochemical, structural, and biological evaluation of tranylcypromine derivatives as inhibitors of histone demethylases LSD1 and LSD2. J Am Chem Soc. 2010 May 19;132(19):6827-33. | ||||
| REF 5 | Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models. ACS Med Chem Lett. 2020 Feb 13;11(5):754-759. | ||||
| REF 6 | Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models. Eur J Med Chem. 2022 Jul 5;237:114410. | ||||
| REF 7 | Protein recognition by short peptide reversible inhibitors of the chromatin-modifying LSD1/CoREST lysine demethylase. ACS Chem Biol. 2013 Aug 16;8(8):1677-82. | ||||
| REF 8 | Differential properties of transcriptional complexes formed by the CoREST family. Mol Cell Biol. 2014 Jul;34(14):2760-70. | ||||
| REF 9 | Alternative splicing of the histone demethylase LSD1/KDM1 contributes to the modulation of neurite morphogenesis in the mammalian nervous system. J Neurosci. 2010 Feb 17;30(7):2521-32. | ||||
| REF 10 | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv. 2016 Sep 9;2(9):e1601017. | ||||
| REF 11 | Molecular mimicry and ligand recognition in binding and catalysis by the histone demethylase LSD1-CoREST complex. Structure. 2011 Feb 9;19(2):212-20. | ||||
| REF 12 | Structural basis of LSD1-CoREST selectivity in histone H3 recognition. J Biol Chem. 2007 Jul 13;282(28):20070-4. | ||||
| REF 13 | Phosphorylation of neuronal Lysine-Specific Demethylase 1LSD1/KDM1A impairs transcriptional repression by regulating interaction with CoREST and histone deacetylases HDAC1/2. J Neurochem. 2014 Mar;128(5):603-16. | ||||
| REF 14 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration. J Med Chem. 2017 Mar 9;60(5):1673-1692. | ||||
| REF 15 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. ChemMedChem. 2020 May 6;15(9):787-793. | ||||
| REF 16 | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2. doi:10.1021/acsmedchemlett.2c00294. | ||||
| REF 17 | Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1. Bioorg Med Chem. 2017 May 1;25(9):2617-2624. | ||||
| REF 18 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J Med Chem. 2021 Apr 8;64(7):3707-3719. | ||||
| REF 19 | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. ACS Med Chem Lett. 2022 Apr 29;13(5):848-854. | ||||
| REF 20 | Crystal Structure of LSD1 in Complex with 4-[5-(Piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile. Molecules. 2018 Jun 26;23(7):1538. | ||||
| REF 21 | Structural basis for CoREST-dependent demethylation of nucleosomes by the human LSD1 histone demethylase. Mol Cell. 2006 Aug 4;23(3):377-87. | ||||
| REF 22 | G-quadruplex RNA binding and recognition by the lysine-specific histone demethylase-1 enzyme. RNA. 2016 Aug;22(8):1250-60. | ||||
| REF 23 | Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate. Protein Sci. 2014 Jul;23(7):993-8. | ||||
| REF 24 | Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1. ACS Omega. 2020 Feb 17;5(8):3979-3995. | ||||
| REF 25 | Identification of structure and nucleosome binding within the N-terminus of lysine specific demethylase 1 | ||||
| REF 26 | Crystal structure of human histone lysine-specific demethylase 1 (LSD1). Proc Natl Acad Sci U S A. 2006 Sep 19;103(38):13956-61. | ||||
| REF 27 | Crystal structure and mechanism of human lysine-specific demethylase-1. Nat Struct Mol Biol. 2006 Jul;13(7):626-32. | ||||
| REF 28 | Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25 A. Biochem Biophys Res Commun. 2008 Feb 1;366(1):15-22. | ||||
| REF 29 | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J Med Chem. 2020 Dec 10;63(23):14522-14529. | ||||
| REF 30 | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer. Front Immunol. 2019 Jun 12;10:1351. | ||||
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