Structure of PDB 8pnu Chain I Binding Site BS02

Receptor Information
>8pnu Chain I (length=155) Species: 69328 (Pseudomonas sp. VLB120) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHAFERKMAGHGILMIFCTLLFGVGLWMNLVGGFEIIPGYIIEFHVPGSP
EGWARAHSGPALNGMMVIAVAFVLPSLGFADKTARLLGSIIVLDGWSNVG
FYLFSNFSPNRGLTFGPNQFGPGDIFSFLALAPAYLFGVLAMGALAVIGY
QALKS
Ligand information
Ligand IDABN
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN
ACDLabs 10.04
CACTVS 3.341		NCc1ccccc1
FormulaC7 H9 N
NameBENZYLAMINE
ChEMBLCHEMBL522
DrugBankDB02464
ZINCZINC000006096244
PDB chain8pnu Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pnu Cryo-EM structure of styrene oxide isomerase bound to benzylamine inhibitor
Resolution2.12 Å
Binding residue
(original residue number in PDB)		N99 F102 Y103
Binding residue
(residue number reindexed from 1)		N98 F101 Y102
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:8pnu, PDBe:8pnu, PDBj:8pnu
PDBsum8pnu
PubMed38744914
UniProtO50216

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