Structure of PDB 7q2a Chain B Binding Site BS02

Receptor Information
>7q2a Chain B (length=352) Species: 101510 (Rhodococcus jostii RHA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DARFDIAHLARAELFSPKPQETLDFFTKFLGMYVTHREGQSVYLRGYEDP
YPWSLKITEAPEAGMGHAAMRTSSPEALERRAKSLTDGNVDGTWSEDQFG
YGKTFEYQSPDGHNLQLLWEAEKYVAPPELRSKILTRPSKKPLQGIPVKR
IDHLNLMSSDVTAVKDSFERHLGFRTTERVVDGNVEIGAWMSSNLLGHEV
ACMRDMTGGHGKLHHLAFFYGTGQHNIDAVEMFRDYDIQIEAGPDKHGIT
QSQFLYVFEPGGNRIELFGEAGYLHLDPDAETKTWQMSDIDTGLAVGGAK
LPWESYFTYGTPSPLSLDQHIEKYAHFPDPDALAAELSVPDELEHSRAVA
DA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7q2a Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q2a Characterization of a phylogenetically distinct extradiol dioxygenase involved in the bacterial catabolism of lignin-derived aromatic compounds.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E342 V345 D347 E350
Binding residue
(residue number reindexed from 1)		E336 V339 D341 E344
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.2: catechol 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0018577 catechol 2,3-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:7q2a, PDBe:7q2a, PDBj:7q2a
PDBsum7q2a
PubMed35346686
UniProtQ0S9X1

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