Structure of PDB 6d0p Chain A Binding Site BS01

Receptor Information
>6d0p Chain A (length=288) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKKFLGAYQNNHMHWVGDGFPVYNLFSYDRLGQTLSPFLLLDYAAPYNF
SPTTEQQGVGSHPHRGFETVTIAYQGEVTHKDSSGGGGTIKTGDVQWMTA
GAGVLHEEFHSPEFAEHGGLFEMVQLWVNLPSHSKMTPGKYQAIEAKDIP
DIALDEHGSHLRVIAGEYADAKGAATTFSPLNVWDGKLVKGQKHTLYVPE
GHTTLVVVLEGAVVVNDTNRLEGKTVAILSREGVEFSLNAEEDTKFLVLT
GQPLNEPIEGYGPFVMNTKAEIMEAINDFNRGKFGSIM
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 chain6d0p Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6d0p 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii
Resolution1.88 Å
Binding residue
(original residue number in PDB)		H61 H63 H105 E107
Binding residue
(residue number reindexed from 1)		H62 H64 H106 E108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:6d0p, PDBe:6d0p, PDBj:6d0p
PDBsum6d0p
PubMed
UniProtA0A0C0C2K2

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