Structure of PDB 3js4 Chain D Binding Site BS01

Receptor Information
>3js4 Chain D (length=206) Species: 212042 (Anaplasma phagocytophilum str. HZ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFELSDLPYEGLEPYISSHLLDRHYNGHHKTYVDVLNKLVVGTEFEGLGN
ESLGDIVVKAHNSGSAGRAIFNNAAQIWNHDFYWQSMKPNGGGNPPEKLR
EMIEHSFGSVEGFNNAFTTSGLGQFGSGWVWLVYDEDAKALKVVSTANAD
SPLLTQGQLPLATMDVWEHAYYLDYLNLRKKYIDVFLEHLLNWDFVLGRL
EDAGVL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3js4 Chain D Residue 207 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3js4 Crystal structure of Iron superoxide dismutase from Anaplasma phagocytophilum
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H24 H80 D165 H169
Binding residue
(residue number reindexed from 1)		H24 H80 D165 H169
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals

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Molecular Function
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Biological Process
External links
PDB RCSB:3js4, PDBe:3js4, PDBj:3js4
PDBsum3js4
PubMed
UniProtQ2GKX4

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