Structure of PDB 1smu Chain A Binding Site BS01

Receptor Information
>1smu Chain A (length=54) Species: 1501 (Clostridium pasteurianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPACGVGKDQFE
EVEE
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain1smu Chain A Residue 55 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1smu The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer
Resolution1.43 Å
Binding residue
(original residue number in PDB)		C6 C9 C39 C42
Binding residue
(residue number reindexed from 1)		C6 C9 C39 C42
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
Biological Process
GO:0043448 alkane catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1smu, PDBe:1smu, PDBj:1smu
PDBsum1smu
PubMed15067525
UniProtP00268|RUBR_CLOPA Rubredoxin

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