Structure of PDB 7ura Chain A Binding Site BS03

Receptor Information
>7ura Chain A (length=432) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSRQEFFQQLLQGCLLPTAQQGLDQIWLLLAICLACRLLWRLGLPSYLKH
ASTVAGGFFSLYHFFQLHMVWVVLLSLLCYLVLFLCRHSSHRGVFLSVTI
LIYLLMGEMHMVDTVTWHKMRGAQMIVAMKAVSLGFDLDRGEVGTVPSPV
EFMGYLYFVGTIVFGPWISFHSYLQAVQGRPLSCRWLQKVARSLALALLC
LVLSTCVGPYLFPYFIPLNARWLRAYESAVSFHFSNYFVGFLSEATATLA
GAGFTEEKDHLEWDLTVSKPLNVELPRSMVEVVTSWNLPMSYWLNNYVFK
NALRLGTFSAVLVTYAASALLHGFSFHLAAVLLSLAFITYVEHVLRKRLA
RILSACVLSKRCPPDCSHQHRLGLGVRALNLLFGALAIFHLAYLGSLFDV
YGMAYTVHKWSELSWASHWVTFGCWIFYRLIG
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7ura Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ura Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		W439 W443 F446
Binding residue
(residue number reindexed from 1)		W415 W419 F422
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.250: [Wnt protein] O-palmitoleoyl transferase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0017147 Wnt-protein binding
GO:1990698 palmitoleoyltransferase activity
Biological Process
GO:0006497 protein lipidation
GO:0009100 glycoprotein metabolic process
GO:0016055 Wnt signaling pathway
GO:0030258 lipid modification
GO:0045234 protein palmitoleylation
GO:0061355 Wnt protein secretion
GO:0099072 regulation of postsynaptic membrane neurotransmitter receptor levels
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0032281 AMPA glutamate receptor complex
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ura, PDBe:7ura, PDBj:7ura
PDBsum7ura
PubMed35831507
UniProtQ9H237|PORCN_HUMAN Protein-serine O-palmitoleoyltransferase porcupine (Gene Name=PORCN)

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