Structure of PDB 8uc2 Chain A Binding Site BS01

Receptor Information
>8uc2 Chain A (length=339) Species: 319 (Pseudomonas savastanoi pv. phaseolicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLQTFELPTEVTGCAADISLGRALIQAWQKDGIFQIKTDSEQDRKTQEAM
AASKQFCKEPLTFKSSCVSDLTYSGYVASGEEKPDFPEIFTVCKDLSVGD
QRVKAGWPCHGPVPWPNNTYQKSMKTFMEELGLAGERLLKLTALGFELPI
NTFTDLTRDGWHHMAVLRFPPQTSTLSRGIGAHTDYGLLVIAAQDDVGGL
YIRPPVEGEKRNRNWLPGESSAGMFEHDEPWTFVTPTPGVWTVFPGDILQ
FMTGGQLLSTPHKVKLNTRERFACAYFHEPNFEASAYPLFEPSANERIHY
GEHFTNMFMRCYPDRITTQRINKENRLAHLEDLKKYSDT
Ligand information
Ligand IDBEZ
InChIInChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKeyWPYMKLBDIGXBTP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(=O)O
CACTVS 3.370OC(=O)c1ccccc1
FormulaC7 H6 O2
NameBENZOIC ACID
ChEMBLCHEMBL541
DrugBankDB03793
ZINCZINC000000001011
PDB chain8uc2 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8uc2 Ethylene forming enzyme (EFE) R171A variant in complex with nickel and Benzoic acid
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F175 R277 A279 A281
Binding residue
(residue number reindexed from 1)		F169 R271 A273 A275
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.12.19: 2-oxoglutarate dioxygenase (ethylene-forming).
1.14.20.7: 2-oxoglutarate/L-arginine monooxygenase/decarboxylase (succinate- forming).
Gene Ontology
Molecular Function
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0102276 2-oxoglutarate oxygenase/decarboxylase (ethylene-forming) activity
Biological Process
GO:0009693 ethylene biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8uc2, PDBe:8uc2, PDBj:8uc2
PDBsum8uc2
PubMed38577885
UniProtP32021|EFE_PSESH 2-oxoglutarate-dependent ethylene/succinate-forming enzyme (Gene Name=efe)

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