Structure of PDB 4yip Chain B Binding Site BS01

Receptor Information
>4yip Chain B (length=203) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AILLPDLPYAYDALEPYIDAETMTLHHDKHHATYVANANAALEKHPEIGE
NLEVLLADVEQIPADIRQSLINNGGGHLNHALFWELLSPEKTKVTAEVAA
AINEAFGSFDDFKAAFTAAATTRFGSGWAWLVVDKEGKLEVTSTANQDTP
ISQGLKPILALDVWEHAYYLNYRNVRPNYIKAFFEVINWNTVARLYAEAL
TLE
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 chain4yip Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yip Fine tuning of metal-specific activity in the Mn-like group of cambialistic superoxide dismutases
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H26 H80 D162 H166
Binding residue
(residue number reindexed from 1)		H26 H80 D162 H166
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:4yip, PDBe:4yip, PDBj:4yip
PDBsum4yip
PubMed
UniProtP09738|SODM_STRMU Superoxide dismutase [Mn/Fe] (Gene Name=sodA)

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