Structure of PDB 6d0g Chain A Binding Site BS01

Receptor Information
>6d0g Chain A (length=299) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFANQFIQEFPIRSAEIGQGTVIKRALPSRQKRMIGAWCFLDHAGPVTFP
AGNGLDVGPHPHIGLQTFTWMIEGTMMHTDSLGSKQLIRPKQVNLMTAGH
GISHTEVAPDTETQMHAAQLWIALPDHKRNMDPKFEHYPDLPVVEKDGLE
FTVLVGEYLETTSPVVVHTPLVGVDLIATQDTKTRIPLNPEFEYGFMALD
GVAHVNGHELTADNMVVLDTGLNEIEIEVKKGNRVLLIGGEPFETPILLW
WNFVARTMDDLKEAREQWVNHDVRFGEIPDYVGARLEAPVLPDQMRASK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6d0g 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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PDB6d0g 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		H76 H78 H120
Binding residue
(residue number reindexed from 1)		H60 H62 H104
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.24: quercetin 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0008127 quercetin 2,3-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:6d0g, PDBe:6d0g, PDBj:6d0g
PDBsum6d0g
PubMed
UniProtV5VHS3

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