Structure of PDB 5td3 Chain A Binding Site BS01

Receptor Information
>5td3 Chain A (length=307) Species: 269482 (Burkholderia vietnamiensis G4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKVFETREVQDLLKAASSANASTGDARTQQIVLRLLGDLFKAIDDLDITP
DEVWAGVNYLNKLGQDGEAALLAAGLGLEKYLDIRMDAADAALGLDGGTP
RTIEGPLYVAGAPVRDGVAKIDLDADAGAGPLVIHGTVKDLDGKPVAGAL
VECWHANSHGFYSHFDPTGAQRDFNLRGAVRTGADGTYAFRTLMPVGYGC
PPQGATQQLLDRLGRHGNRPAHVHFFVTSDGHRKLTTQFNIEGDPLIWDD
FAYATREELIPPVTTKTGGAALGLKADAYQDITFDFVLTPRVGGADNQIV
ERPRASV
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 chain5td3 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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PDB5td3 Crystal structure of Catechol 1,2-dioxygenase from Burkholderia vietnamiensis
Resolution1.75 Å
Binding residue
(original residue number in PDB)
Y175 H235 H237
Binding residue
(residue number reindexed from 1)
Y162 H222 H224
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y175 Y211 R232 H235 H237
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:5td3, PDBe:5td3, PDBj:5td3
PDBsum5td3
PubMed
UniProtA4JR51

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