Structure of PDB 5umh Chain A Binding Site BS01

Receptor Information
>5umh Chain A (length=307) Species: 395019 (Burkholderia multivorans ATCC 17616) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKVFDTKEVQDLLKAAANLNGDAGNARFRQIVHRLLSDLFKAIDDLDITP
DEVWAGVNYLNKLGQDGEAALLAAGIGLEKYLDIRMDAADRAAGLDGGTP
RTIEGPLYVAGAPVRDGVAKIDLDDDADAGPLVIRGTVTGTDGKPLAGAL
VECWHANSKGFYSHFDPTGAQTAFNLRGAVRTDANGKYEFRTLMPVGYGC
PPQGATQQLLNGLGRHGNRPAHVHFFVSGDGHRKLTTQFNIEGDPLIWDD
FAYATREELIPHVVDKTGGAALGMKSDAYKEIEFDIVLTPLLDGRDNQVV
HRPRASA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5umh 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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PDB5umh Crystal Structure of Catechol 1,2-dioxygenase protein, from Burkholderia multivorans ATCC 17616
Resolution1.35 Å
Binding residue
(original residue number in PDB)		Y164 H224 H226
Binding residue
(residue number reindexed from 1)		Y162 H222 H224
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y164 Y200 R221 H224 H226
Catalytic site (residue number reindexed from 1) Y162 Y198 R219 H222 H224
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:5umh, PDBe:5umh, PDBj:5umh
PDBsum5umh
PubMed
UniProtA0A0H3KXJ8

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