Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: LGK974 | Ligand Info | |||||
| Structure Description | Human PORCN in complex with LGK974 and WNT3A peptide | PDB:7URD | ||||
| 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
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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
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Human PORCN in complex with LGK974 and WNT3A peptide | PDB:7URD | ||||
| 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
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Human PORCN in complex with LGK974 and WNT3A peptide | PDB:7URD | ||||
| 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
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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 .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:322 or .A:344 or .A:347 or .A:348 or .A:351 or .A:354 or .A:355 or .A:434 or .A:442 or .A:445 or .A:446 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Palmitoleic acid | Ligand Info | |||||
| Structure Description | Human PORCN in complex with palmitoleoylated WNT3A peptide | PDB:7URE | ||||
| Method | Electron microscopy | Resolution | 3.19 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
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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 .PAM or .PAM2 or .PAM3 or :3PAM;style chemicals stick;color identity;select .A:246 or .A:247 or .A:250 or .A:296 or .A:297 or .A:300 or .A:301 or .A:304 or .A:336 or .A:342 or .A:345 or .A:346 or .A:349 or .A:405 or .A:408 or .A:409 or .A:412; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Digitonin | Ligand Info | |||||
| Structure Description | Human PORCN in complex with LGK974 and WNT3A peptide | PDB:7URD | ||||
| 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
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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:96 or .A:97 or .A:100 or .A:103 or .A:104 or .A:107 or .A:135 or .A:139 or .A:307 or .A:311 or .A:312 or .A:315 or .A:316 or .A:318 or .A:319 or .A:327 or .A:331 or .A:334 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: S-[2-[3-[[(2R)-4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-hexadec-9-enethioate | Ligand Info | |||||
| Structure Description | Human PORCN in complex with Palmitoleoyl-CoA | PDB:7URA | ||||
| Method | Electron microscopy | Resolution | 3.11 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
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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 .OH6 or .OH62 or .OH63 or :3OH6;style chemicals stick;color identity;select .A:246 or .A:247 or .A:250 or .A:287 or .A:293 or .A:294 or .A:296 or .A:297 or .A:298 or .A:300 or .A:301 or .A:304 or .A:305 or .A:308 or .A:309 or .A:313 or .A:321 or .A:325 or .A:328 or .A:329 or .A:332 or .A:336 or .A:342 or .A:345 or .A:346 or .A:349 or .A:353 or .A:354 or .A:357 or .A:358 or .A:361 or .A:374 or .A:405 or .A:408 or .A:409 or .A:412; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE246
3.905
HIS247
4.310
ASN250
4.896
VAL287
4.748
MET293
4.699
VAL294
3.683
VAL296
3.492
VAL297
3.681
THR298
3.725
TRP300
3.465
ASN301
4.818
MET304
4.477
SER305
3.055
LEU308
3.158
ASN309
3.325
PHE313
3.850
THR321
3.581
VAL325
4.280
|
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| Ligand Name: 3-Amino-Alanine | Ligand Info | |||||
| Structure Description | Human PORCN in complex with palmitoleoylated WNT3A peptide | PDB:7URE | ||||
| Method | Electron microscopy | Resolution | 3.19 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
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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 .DNP or .DNP2 or .DNP3 or :3DNP;style chemicals stick;color identity;select .A:128 or .A:246 or .A:250 or .A:300 or .A:301 or .A:304 or .A:336 or .A:342; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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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