Structure of PDB 5ww8 Chain A Binding Site BS03

Receptor Information
>5ww8 Chain A (length=161) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSARRTESDIQGFHATPEFGGNLQKVLVDLIELSLQGKQAHWNVVGSNFR
DLHLQLDELVDFAREGSDTIAERMRALDAVPDGRSDTVAATTTLPEFPAF
ERSTADVVDLITTRINATVDTIRRVHDAVDAEDPSTADLLHGLIDGLEKQ
AWLIRSENRKV
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 chain5ww8 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ww8 Flexible aspartates propel iron to the ferroxidation sites along pathways stabilized by a conserved arginine in Dps proteins from Mycobacterium smegmatis
Resolution2.04 Å
Binding residue
(original residue number in PDB)		H41 D57
Binding residue
(residue number reindexed from 1)		H41 D57
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008199 ferric iron binding
GO:0016722 oxidoreductase activity, acting on metal ions
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5ww8, PDBe:5ww8, PDBj:5ww8
PDBsum5ww8
PubMed28418062
UniProtA0QXB7

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