Structure of PDB 5vxt Chain A Binding Site BS02

Receptor Information
>5vxt Chain A (length=311) Species: 398577 (Burkholderia ambifaria MC40-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHMSVKVFDTKEVQDLLKAASNAGAGNARTQQIVHRLLGDLFKAIDDL
DITPDEVWAGVNYLNKLGQDGEAALLAAGLGLEKYLDIRMDAEDEAIGLD
GGTPRTIEGPLYVAGAPVRDGVAKIDLDADEGAGPLVIHGTVTGLDGKPV
AGALVECWHANSHGFYSHFDPTGKQSDFNLRGAVKTGADGKYEFRTLMPV
GYGCPPQGATQQLLDRLGRHGNRPAHVHFFVTSDGHRKLTTQFNIEGDPL
IWDDFAYATREELIPPVTAKAGGAALGLKADAYQDIEFNFVLTPRVEGKD
NQIVERLRASA
Ligand information
Ligand IDCAQ
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKeyYCIMNLLNPGFGHC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)O)O
ACDLabs 10.04
CACTVS 3.341		Oc1ccccc1O
FormulaC6 H6 O2
NameCATECHOL;
1,2-DIHYDROXYBENZENE
ChEMBLCHEMBL280998
DrugBankDB02232
ZINCZINC000013512214
PDB chain5vxt Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vxt Crystal structure of catechol 1,2-dioxygenase from Burkholderia ambifaria
Resolution1.75 Å
Binding residue
(original residue number in PDB)		P114 Y170 Y206 R227 H232
Binding residue
(residue number reindexed from 1)		P110 Y166 Y202 R223 H228
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y170 Y206 R227 H230 H232
Catalytic site (residue number reindexed from 1) Y166 Y202 R223 H226 H228
Enzyme Commision number 1.13.11.1: catechol 1,2-dioxygenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0008199 ferric iron binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0018576 catechol 1,2-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009712 catechol-containing compound metabolic process
GO:0019614 catechol-containing compound catabolic process
GO:0042952 beta-ketoadipate pathway

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Molecular Function
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Biological Process
External links
PDB RCSB:5vxt, PDBe:5vxt, PDBj:5vxt
PDBsum5vxt
PubMed
UniProtB1Z4S0

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