Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T79747 | Target Info | |||
| Target Name | Protein-serine O-palmitoleoyltransferase porcupine (PORCN) | ||||
| Synonyms | Protein-cysteine N-palmitoyltransferase porcupine; Protein MG61; PORCN | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PORCN | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | LGK974 | Ligand Info | |||
| Canonical SMILES | CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4 | ||||
| InChI | 1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30) | ||||
| InChIKey | XXYGTCZJJLTAGH-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 46926973 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7URD Human PORCN in complex with LGK974 and WNT3A peptide | ||||||
| Method | Electron microscopy | Resolution | 2.92 Å | Mutation | No | [1] |
| PDB Sequence |
FSRQEFFQQL
13 LQGCLLPTAQ23 QGLDQIWLLL33 AICLACRLLW43 RLGLPSYLKH53 ASTVAGGFFS 63 LYHFFQLHMV73 WVVLLSLLCY83 LVLFLCRHSS93 HRGVFLSVTI103 LIYLLMGEMH 113 MVDTVTWHKM123 RGAQMIVAMK133 AVSLGFDLDR143 GEVGTVPSPV153 EFMGYLYFVG 163 TIVFGPWISF173 HSYLQAVQGR183 PLSCRWLQKV193 ARSLALALLC203 LVLSTCVGPY 213 LFPYFIPLNA234 RWLRAYESAV244 SFHFSNYFVG254 FLSEATATLA264 GAGFTEEKDH 274 LEWDLTVSKP284 LNVELPRSMV294 EVVTSWNLPM304 SYWLNNYVFK314 NALRLGTFSA 324 VLVTYAASAL334 LHGFSFHLAA344 VLLSLAFITY354 VEHVLRKRLA364 RILSACVLSK 374 RCPPDCSHQH384 RLGLGVRALN394 LLFGALAIFH404 LAYLGSLFDV414 YGMAYTVHKW 434 SELSWASHWV444 TFGCWIFYRL454 IG
|
|||||
|
|
PHE246
4.114
HIS247
4.055
VAL296
4.164
VAL297
3.600
THR298
4.889
TRP300
3.741
MET304
4.032
SER305
3.518
LEU308
3.543
ASN309
3.622
PHE313
3.420
VAL325
4.141
|
|||||
| PDB ID: 7URC Human PORCN in complex with LGK974 | ||||||
| Method | Electron microscopy | Resolution | 3.14 Å | Mutation | No | [1] |
| PDB Sequence |
FSRQEFFQQL
13 LQGCLLPTAQ23 QGLDQIWLLL33 AICLACRLLW43 RLGLPSYLKH53 ASTVAGGFFS 63 LYHFFQLHMV73 WVVLLSLLCY83 LVLFLCRHSS93 HRGVFLSVTI103 LIYLLMGEMH 113 MVDTVTWHKM123 RGAQMIVAMK133 AVSLGFDLDR143 GEVGTVPSPV153 EFMGYLYFVG 163 TIVFGPWISF173 HSYLQAVQGR183 PLSCRWLQKV193 ARSLALALLC203 LVLSTCVGPY 213 LFPYFIPLNA234 RWLRAYESAV244 SFHFSNYFVG254 FLSEATATLA264 GAGFTEEKDH 274 LEWDLTVSKP284 LNVELPRSMV294 EVVTSWNLPM304 SYWLNNYVFK314 NALRLGTFSA 324 VLVTYAASAL334 LHGFSFHLAA344 VLLSLAFITY354 VEHVLRKRLA364 RILSACVLSK 374 RCPPDCSHQH384 RLGLGVRALN394 LLFGALAIFH404 LAYLGSLFDV414 YGMAYTVHKW 434 SELSWASHWV444 TFGCWIFYRL454 IG
|
|||||
|
|
PHE246
4.228
HIS247
4.029
VAL296
4.152
VAL297
3.495
THR298
4.665
TRP300
3.450
MET304
3.722
SER305
3.495
LEU308
3.608
ASN309
3.779
PHE313
3.494
VAL325
3.810
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Mechanisms and inhibition of Porcupine-mediated Wnt acylation. Nature. 2022 Jul;607(7920):816-822. | ||||
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