Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T01725 | Target Info | |||
| Target Name | Protein-cysteine N-palmitoyltransferase HHAT (HHAT) | ||||
| Synonyms | Skinny hedgehog protein 1; Melanoma antigen recognized by T-cells 2; MART-2; Hedgehog acyltransferase; HHAT | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | HHAT | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Palmitoyl-CoA | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | ||||
| InChI | 1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1 | ||||
| InChIKey | MNBKLUUYKPBKDU-BBECNAHFSA-N | ||||
| PubChem Compound ID | 644109 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7MHY Human Hedgehog acyltransferase (HHAT) in complex with palmitoyl-CoA and two Fab antibody fragments | ||||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
MLPRWELALY
10 LLASLGFHFY20 SFYEVYKVSR30 EHEEELDQEF40 ELETDTLFGG50 LKKDATDFEW 60 SFWMEWGKQW70 LVWLLLGHMV80 VSQMATLLAR90 KHRPWILMLY100 GMWACWCVLG 110 TPGVAMVLLH120 TTISFCVAQF130 RSQLLTWLCS140 LLLLSTLRLQ150 GVEEVKRRWY 160 KTENEYYLLQ170 FTLTVRCLYY180 TSFSLELCWQ190 QLPAASTSYS200 FPWMLAYVFY 210 YPVLHNGPIL220 SFSEFIKQMQ230 QQEHDSLKAS240 LCVLALGLGR250 LLCWWWLAEL 260 MAHLMYMHAI270 YSSIPLLETV280 SCWTLGGLAL290 AQVLFFYVKY300 LVLFGVPALL 310 MRLDGLTPPA320 LPRCVSTMFS330 FTGMWRYFDV340 GLHNFLIRYV350 YIPVGGSQHG 360 LLGTLFSTAM370 TFAFVSYWHG380 GYDYLWCWAA390 LNWLGVTVEN400 GVRRLVETPC 410 IQDSLARYFS420 PQARRRFHAA430 LASCSTSMLI440 LSNLVFLGGN450 EVGKTYWNRI 460 FIQGWPWVTL470 SVLGFLYCYS480 HVGIAWAQTY490 A
|
|||||
|
|
PHE17
3.785
HIS18
4.375
CYS282
4.116
TRP283
3.860
GLY286
3.636
GLY287
4.964
ALA289
4.394
LEU290
3.618
VAL293
3.528
PHE296
3.352
VAL325
3.130
SER326
4.396
MET328
3.895
PHE331
3.772
THR332
4.581
MET334
3.565
TRP335
3.279
ARG336
3.026
PHE338
4.162
ASP339
4.056
LEU342
3.515
HIS343
3.255
LEU346
3.926
ILE347
3.461
TYR351
3.492
ILE352
3.476
GLY356
2.790
SER357
3.303
GLN358
4.113
THR368
4.140
THR371
3.895
PHE372
3.443
VAL375
3.849
HIS379
3.382
ASP383
4.962
CYS387
3.474
TRP388
3.685
LEU391
4.442
LEU394
3.544
GLY395
4.133
VAL396
4.058
VAL398
3.519
GLU399
3.130
ASN400
4.661
VAL402
3.235
ARG403
2.873
VAL406
3.675
LEU415
4.465
PHE419
4.061
ARG424
3.923
PHE427
3.586
HIS428
2.715
LEU431
3.358
ALA432
4.064
CYS434
4.660
SER435
3.082
THR436
4.083
SER437
4.395
MET438
3.464
LEU439
3.994
ILE440
3.666
LEU441
4.317
ASN443
2.933
LEU444
4.670
VAL445
4.446
PHE446
3.657
LEU447
4.375
ASN450
3.667
GLY453
4.343
LYS454
3.746
TYR456
4.632
TRP457
3.962
ILE460
4.968
VAL468
4.619
SER471
3.903
VAL472
3.806
PHE475
4.217
LEU476
4.440
TYR479
3.310
|
|||||
| PDB ID: 7MHZ Human Hedgehog acyltransferase (HHAT) in complex with a palmitoylated Hedgehog peptide product and a Fab antibody fragment | ||||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | No | [1] |
| PDB Sequence |
MLPRWELALY
10 LLASLGFHFY20 SFYEVYKVSR30 EHEEELDQEF40 ELETDTLFGG50 LKKDATDFEW 60 SFWMEWGKQW70 LVWLLLGHMV80 VSQMATLLAR90 KHRPWILMLY100 GMWACWCVLG 110 TPGVAMVLLH120 TTISFCVAQF130 RSQLLTWLCS140 LLLLSTLRLQ150 GVEEVKRRWY 160 KTENEYYLLQ170 FTLTVRCLYY180 TSFSLELCWQ190 QLPAASTSYS200 FPWMLAYVFY 210 YPVLHNGPIL220 SFSEFIKQMQ230 QQEHDSLKAS240 LCVLALGLGR250 LLCWWWLAEL 260 MAHLMYMHAI270 YSSIPLLETV280 SCWTLGGLAL290 AQVLFFYVKY300 LVLFGVPALL 310 MRLDGLTPPA320 LPRCVSTMFS330 FTGMWRYFDV340 GLHNFLIRYV350 YIPVGGSQHG 360 LLGTLFSTAM370 TFAFVSYWHG380 GYDYLWCWAA390 LNWLGVTVEN400 GVRRLVETPC 410 IQDSLARYFS420 PQARRRFHAA430 LASCSTSMLI440 LSNLVFLGGN450 EVGKTYWNRI 460 FIQGWPWVTL470 SVLGFLYCYS480 HVGIAWAQTY490 A
|
|||||
|
|
PHE17
3.655
CYS282
4.313
TRP283
3.683
GLY286
3.805
GLY287
4.975
ALA289
4.202
LEU290
4.132
PHE331
3.948
THR332
4.618
TRP335
4.520
ARG336
3.809
HIS343
4.052
ILE347
4.247
TYR351
3.467
SER357
2.968
GLN358
4.187
THR364
3.349
THR368
4.636
THR371
3.896
CYS387
3.801
LEU391
3.641
LEU394
4.510
GLY395
3.970
VAL396
3.921
VAL398
3.562
GLU399
3.089
ASN400
3.345
VAL402
3.561
ARG403
3.795
ARG404
3.011
VAL406
3.626
GLU407
4.551
LEU415
4.123
PHE419
3.434
ARG424
3.631
PHE427
3.093
HIS428
2.959
LEU431
3.182
ALA432
3.771
CYS434
4.270
SER435
3.190
SER437
4.479
MET438
3.501
ILE440
3.680
LEU441
3.827
LEU444
4.785
VAL445
4.064
ASN450
3.748
GLY453
4.659
LYS454
4.506
TYR456
3.838
TRP457
3.512
ILE460
4.600
VAL468
4.485
SER471
3.799
VAL472
3.763
PHE475
3.832
LEU476
4.117
|
|||||
| PDB ID: 7URF Human HHAT H379C in complex with SHH N-terminal peptide | ||||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
MLPRWELALY
10 LLASLGFHFY20 SFYEVYKVSR30 EHEEELDQEF40 ELETDTLFGG50 LKKDATDFEW 60 SFWMEWGKQW70 LVWLLLGHMV80 VSQMATLLAR90 KHRPWILMLY100 GMWACWCVLG 110 TPGVAMVLLH120 TTISFCVAQF130 RSQLLTWLCS140 LLLLSTLRLQ150 GVEEVKRRWY 160 KTENEYYLLQ170 FTLTVRCLYY180 TSFSLELCWQ190 QLPAASTSYS200 FPWMLAYVFY 210 YPVLHNGPIL220 SFSEFIKQMQ230 QQEHDSLKAS240 LCVLALGLGR250 LLCWWWLAEL 260 MAHLMYMHAI270 YSSIPLLETV280 SCWTLGGLAL290 AQVLFFYVKY300 LVLFGVPALL 310 MRLDGLTPPA320 LPRCVSTMFS330 FTGMWRYFDV340 GLHNFLIRYV350 YIPVGGSQHG 360 LLGTLFSTAM370 TFAFVSYWCG380 GYDYLWCWAA390 LNWLGVTVEN400 GVRRLVETPC 410 IQDSLARYFS420 PQARRRFHAA430 LASCSTSMLI440 LSNLVFLGGN450 EVGKTYWNRI 460 FIQGWPWVTL470 SVLGFLYCYS480 HVGIAWAQTY490 A
|
|||||
|
|
PHE17
3.566
HIS18
4.332
CYS282
3.898
TRP283
3.535
GLY286
3.807
ALA289
4.298
LEU290
3.815
VAL293
3.618
PHE296
3.638
VAL325
3.399
SER326
4.356
MET328
4.117
THR332
3.623
MET334
3.628
TRP335
3.513
ARG336
3.492
PHE338
4.114
ASP339
3.659
LEU342
3.373
HIS343
2.794
LEU346
3.570
ILE347
3.503
TYR351
3.513
ILE352
3.197
GLY355
4.137
GLY356
3.246
SER357
2.948
GLN358
3.468
HIS359
4.334
THR368
3.777
THR371
3.585
PHE372
3.642
VAL375
3.683
CYS379
4.409
TRP388
3.298
VAL396
4.654
THR436
4.582
SER437
4.290
LEU439
3.663
ILE440
3.681
LEU441
4.705
ASN443
3.468
LEU444
4.825
PHE446
3.407
LEU447
4.322
TYR456
4.403
ILE460
4.699
PHE461
4.373
VAL468
4.145
SER471
3.923
VAL472
4.075
PHE475
3.904
LEU476
3.788
TYR479
3.355
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Substrate and product complexes reveal mechanisms of Hedgehog acylation by HHAT. Science. 2021 Jun 11;372(6547):1215-1219. | ||||
| REF 2 | Mechanisms and inhibition of Porcupine-mediated Wnt acylation. Nature. 2022 Jul;607(7920):816-822. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.