Structure of PDB 3rf7 Chain A Binding Site BS02

Receptor Information
>3rf7 Chain A (length=362) Species: 318161 (Shewanella denitrificans OS217) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQGMSFKNFKCVPKMIFGRGSFVQLDTVLEQERTDANDFVVFLVDDV
HQHKPLAARVPNKAHDLVIYVNVDDEPTTVQVDELTAQVKAFNTKLPVSV
VGLGGGSTMDLAKAVSLMLTNPGSSSEYQGWDLIKNPAVHHIGIPTVSGT
GAEASRTAVLCGPVRKLGLNSDYTVFDQIIMDSELIAGVPTDQWFYTGMD
CFIHCVESLQGTYLNEFAKAFAEKSMDLCREVYLDDHPEKDDKLMMASYM
GGMSIAYSQVGACHAVSYGLGYVLGYHHGIGNCLAFDVLEEFYPEGVAEF
RKMMEIHNITLPKNICKDLPDETIAKMVAVTKSMGPLWDNVYGKGWEEKV
TDEMLTKLFRRI
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 chain3rf7 Chain A Residue 360 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rf7 Crystal structure of an Iron-containing alcohol dehydrogenase (Sden_2133) from Shewanella denitrificans OS-217 at 2.12 A resolution
Resolution2.12 Å
Binding residue
(original residue number in PDB)		D194 H198 H258 H272
Binding residue
(residue number reindexed from 1)		D200 H204 H264 H278
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3rf7, PDBe:3rf7, PDBj:3rf7
PDBsum3rf7
PubMed
UniProtQ12MB1

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