Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Palmitoyl-CoA | Ligand Info | |||||
| Structure Description | Human Hedgehog acyltransferase (HHAT) in complex with palmitoyl-CoA and two Fab antibody fragments | PDB:7MHY | ||||
| 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
|
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|
|
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
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to non-hydrolysable palmitoyl-CoA (Composite Map) | PDB:7Q1U | ||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | Yes | [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 TNFSLELCTS198 YSFPWMLAYV208 FYYPVLHNGP 218 ILSFSEFIKQ228 MQQQEHDSLK238 ASLCVLALGL248 GRLLCWWWLA258 ELMAHLMYMH 268 AIYSSIPLLE278 TVSCWTLGGL288 ALAQVLFFYV298 KYLVLFGVPA308 LLMRLDGLTP 318 PALPRCVSTM328 FSFTGMWRYF338 DVGLHNFLIR348 YVYIPVGGSQ358 HGLLGTLFST 368 AMTFAFVSYW378 HGGYDYLWWA389 ALNWLGVTVE399 NGVRRLVETP409 CIQDSLARYF 419 SPQARRRFHA429 ALASCSTSML439 ILSNLVFLGG449 NEVGKTYWNR459 IFIQGWPWVT 469 LSVLGFLYCY479 SHVGIAWAQT489 YATD
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Digitonin | Ligand Info | |||||
| Structure Description | Human Hedgehog acyltransferase (HHAT) in complex with palmitoyl-CoA and two Fab antibody fragments | PDB:7MHY | ||||
| 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
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJP or .AJP2 or .AJP3 or :3AJP;style chemicals stick;color identity;select .A:7 or .A:11 or .A:13 or .A:15 or .A:16 or .A:19 or .A:20 or .A:22 or .A:23 or .A:24 or .A:26 or .A:27 or .A:30 or .A:33 or .A:46 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:63 or .A:64 or .A:67 or .A:68 or .A:71 or .A:72 or .A:75 or .A:95 or .A:98 or .A:102 or .A:118 or .A:202 or .A:205 or .A:246 or .A:247 or .A:249 or .A:250 or .A:252 or .A:253 or .A:255 or .A:256 or .A:257 or .A:260 or .A:264 or .A:265 or .A:283 or .A:302 or .A:306 or .A:434 or .A:437 or .A:438 or .A:457 or .A:461 or .A:462 or .A:465 or .A:469 or .A:475 or .A:482 or .A:485 or .A:486 or .A:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU7
3.622
LEU11
3.157
ALA13
4.554
LEU15
4.487
GLY16
4.411
PHE19
3.673
TYR20
3.467
PHE22
3.771
TYR23
2.630
GLU24
4.767
TYR26
2.959
LYS27
4.898
ARG30
4.328
GLU33
4.437
THR46
3.236
LEU47
3.804
PHE48
3.568
GLY49
3.217
GLY50
4.003
LEU51
3.073
TRP63
4.492
MET64
3.534
GLY67
3.439
LYS68
3.444
LEU71
4.928
VAL72
4.223
LEU75
4.284
TRP95
3.506
MET98
3.291
MET102
3.657
LEU118
3.663
PRO202
3.835
LEU205
4.039
LEU246
3.335
GLY247
4.910
GLY249
4.266
ARG250
3.382
LEU252
3.453
CYS253
3.968
TRP255
3.628
TRP256
3.486
LEU257
3.773
LEU260
3.926
LEU264
3.615
MET265
4.600
TRP283
3.438
VAL302
4.368
VAL306
4.610
CYS434
3.634
SER437
4.368
MET438
3.834
TRP457
3.499
PHE461
3.578
ILE462
4.620
TRP465
3.073
THR469
4.994
PHE475
4.537
VAL482
3.724
ALA485
3.644
TRP486
3.492
THR489
4.114
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: S-Palmitoyl-L-cysteine | Ligand Info | |||||
| Structure Description | Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to non-hydrolysable palmitoyl-CoA (Composite Map) | PDB:7Q1U | ||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | Yes | [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 TNFSLELCTS198 YSFPWMLAYV208 FYYPVLHNGP 218 ILSFSEFIKQ228 MQQQEHDSLK238 ASLCVLALGL248 GRLLCWWWLA258 ELMAHLMYMH 268 AIYSSIPLLE278 TVSCWTLGGL288 ALAQVLFFYV298 KYLVLFGVPA308 LLMRLDGLTP 318 PALPRCVSTM328 FSFTGMWRYF338 DVGLHNFLIR348 YVYIPVGGSQ358 HGLLGTLFST 368 AMTFAFVSYW378 HGGYDYLWWA389 ALNWLGVTVE399 NGVRRLVETP409 CIQDSLARYF 419 SPQARRRFHA429 ALASCSTSML439 ILSNLVFLGG449 NEVGKTYWNR459 IFIQGWPWVT 469 LSVLGFLYCY479 SHVGIAWAQT489 YATD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P1L or .P1L2 or .P1L3 or :3P1L;style chemicals stick;color identity;select .A:383 or .A:384 or .A:385 or .A:386 or .A:388 or .A:389 or .A:390 or .A:391 or .A:392 or .A:394 or .A:398 or .A:438 or .A:441 or .A:442 or .A:445 or .A:449 or .A:450 or .A:453 or .A:454 or .A:457; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP383
2.912
TYR384
2.560
LEU385
3.210
TRP386
1.326
TRP388
1.327
ALA389
3.103
ALA390
2.855
LEU391
2.075
ASN392
4.327
LEU394
3.007
|
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| Ligand Name: [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen | Ligand Info | |||||
| Structure Description | Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to non-hydrolysable palmitoyl-CoA (Composite Map) | PDB:7Q1U | ||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | Yes | [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 TNFSLELCTS198 YSFPWMLAYV208 FYYPVLHNGP 218 ILSFSEFIKQ228 MQQQEHDSLK238 ASLCVLALGL248 GRLLCWWWLA258 ELMAHLMYMH 268 AIYSSIPLLE278 TVSCWTLGGL288 ALAQVLFFYV298 KYLVLFGVPA308 LLMRLDGLTP 318 PALPRCVSTM328 FSFTGMWRYF338 DVGLHNFLIR348 YVYIPVGGSQ358 HGLLGTLFST 368 AMTFAFVSYW378 HGGYDYLWWA389 ALNWLGVTVE399 NGVRRLVETP409 CIQDSLARYF 419 SPQARRRFHA429 ALASCSTSML439 ILSNLVFLGG449 NEVGKTYWNR459 IFIQGWPWVT 469 LSVLGFLYCY479 SHVGIAWAQT489 YATD
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HD6 or .HD62 or .HD63 or :3HD6;style chemicals stick;color identity;select .A:17 or .A:18 or .A:290 or .A:293 or .A:294 or .A:296 or .A:297 or .A:325 or .A:326 or .A:328 or .A:329 or .A:331 or .A:332 or .A:334 or .A:335 or .A:336 or .A:338 or .A:339 or .A:342 or .A:343 or .A:346 or .A:347 or .A:351 or .A:352 or .A:355 or .A:356 or .A:357 or .A:358 or .A:359 or .A:367 or .A:368 or .A:371 or .A:372 or .A:375 or .A:378 or .A:379 or .A:388 or .A:396 or .A:400 or .A:436 or .A:439 or .A:440 or .A:443 or .A:446 or .A:447 or .A:476 or .A:479; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE17
4.211
HIS18
2.978
LEU290
2.354
VAL293
2.289
LEU294
4.645
PHE296
2.382
TYR297
4.311
VAL325
2.228
SER326
2.978
MET328
2.588
PHE329
4.685
PHE331
4.526
THR332
3.437
MET334
2.230
TRP335
2.018
ARG336
2.298
PHE338
2.810
ASP339
2.252
LEU342
2.220
HIS343
2.118
LEU346
2.231
ILE347
2.334
TYR351
2.712
ILE352
2.869
GLY355
2.584
GLY356
2.554
SER357
2.279
GLN358
2.464
HIS359
4.015
SER367
4.750
THR368
2.597
THR371
2.302
PHE372
2.640
VAL375
2.310
TRP378
4.935
HIS379
2.345
TRP388
2.427
VAL396
3.124
ASN400
4.057
THR436
2.830
LEU439
2.573
ILE440
2.302
ASN443
2.166
PHE446
2.655
LEU447
2.502
LEU476
3.543
TYR479
2.191
|
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| Ligand Name: 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone | Ligand Info | |||||
| Structure Description | Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to IMP-1575 | PDB:7Q6Z | ||||
| Method | Electron microscopy | Resolution | 3.59 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 TNFSLELCTS198 YSFPWMLAYV208 FYYPVLHNGP 218 ILSFSEFIKQ228 MQQQEHDSLK238 ASLCVLALGL248 GRLLCWWWLA258 ELMAHLMYMH 268 AIYSSIPLLE278 TVSCWTLGGL288 ALAQVLFFYV298 KYLVLFGVPA308 LLMRLDGLTP 318 PALPRCVSTM328 FSFTGMWRYF338 DVGLHNFLIR348 YVYIPVGGSQ358 HGLLGTLFST 368 AMTFAFVSYW378 HGGYDYLWCW388 AALNWLGVTV398 ENGVRRLVET408 PCIQDSLARY 418 FSPQARRRFH428 AALASCSTSM438 LILSNLVFLG448 GNEVGKTYWN458 RIFIQGWPWV 468 TLSVLGFLYC478 YSHVGIAWAQ488 TYATD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9V3 or .9V32 or .9V33 or :39V3;style chemicals stick;color identity;select .A:216 or .A:219 or .A:293 or .A:296 or .A:297 or .A:300 or .A:304 or .A:325 or .A:331 or .A:334 or .A:335 or .A:338 or .A:339 or .A:342 or .A:372 or .A:378 or .A:379 or .A:388 or .A:392 or .A:439 or .A:442 or .A:443 or .A:446 or .A:447; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN216
4.371
ILE219
4.861
VAL293
2.862
PHE296
2.813
TYR297
3.971
TYR300
2.071
PHE304
2.249
VAL325
2.283
PHE331
3.069
MET334
2.127
TRP335
2.628
PHE338
2.362
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| 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 | Structure, mechanism, and inhibition of Hedgehog acyltransferase. Mol Cell. 2021 Dec 16;81(24):5025-5038.e10. | ||||
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