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 | Digitonin | Ligand Info | |||
| Canonical SMILES | CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 | ||||
| InChI | 1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1 | ||||
| InChIKey | UVYVLBIGDKGWPX-KUAJCENISA-N | ||||
| PubChem Compound ID | 6474107 | ||||
| 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
|
|||||
|
|
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
|
|||||
| 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
|
|||||
|
|
LEU12
3.939
ALA13
4.514
GLY16
3.925
PHE17
4.218
PHE19
3.692
TYR20
3.501
TYR23
2.447
GLU24
4.776
TYR26
3.132
PHE48
3.708
GLY49
3.256
GLY50
4.042
LEU51
3.716
HIS92
4.140
TRP95
3.387
MET98
3.711
LEU99
3.654
MET102
4.517
|
|||||
| 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
|
|||||
|
|
LEU12
4.471
ALA13
4.125
GLY16
4.022
PHE17
4.297
PHE19
3.560
TYR20
3.381
PHE22
3.566
TYR23
2.963
TYR26
3.177
PHE48
3.627
GLY49
3.333
GLY50
3.583
LEU51
3.337
TRP256
4.795
|
|||||
| 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. | ||||
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