Structure of PDB 5ww3 Chain B Binding Site BS01

Receptor Information
>5ww3 Chain B (length=160) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARRTESDIQGFHATPEFGGNLQKVLVDLIELSLQGKQAHWNVVGSNFRD
LHLQLDELVDFAREGSDTIAERMRALDAVPDGRSDTVAATTTLPEFPAFE
RSTADVVDLITTRINATVDTIRRVHDAVDAEDPSTADLLHGLIDGLEKQA
WLIRSENRKV
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 chain5ww3 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ww3 Flexible aspartates propel iron to the ferroxidation sites along pathways stabilized by a conserved arginine in Dps proteins from Mycobacterium smegmatis
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H41 D57
Binding residue
(residue number reindexed from 1)		H40 D56
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:5ww3, PDBe:5ww3, PDBj:5ww3
PDBsum5ww3
PubMed28418062
UniProtA0QXB7

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