Structure of PDB 2w3s Chain E Binding Site BS02

Receptor Information
>2w3s Chain E (length=450) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIAFLLNGETRRVRIEDPTQSLLEWLRAEGLTGTKEGCNEGDCGACTVM
IRDAAGSRAVNACLMMLPQIAGKALRTIEGIAAPDGRLHPVQQAMIDHHG
SQCGFCTPGFIVSMAAAHDRDRKDYDDLLAGNLCRCTGYAPILRAAEAAA
GEPPADWLQADAAFTLPAFLPETSDALADWYLAHPEATLIAGGTDVSLWV
TKALRDLPEVAFLSHCKDLAQIRETPDGYGIGAGVTIAALRAFAEGPHPA
LAGLLRRFASEQVRQVATIGGNIANGSPIGDGPPALIAMGASLTLRRGQE
RRRMPLEDFFLEYRKQDRRPGEFVESVTLPKSAPGLRCYKLSKRFDQDIS
AVCGCLNLTLKGSKIETARIAFGGMAGVPKRAAAFEAALIGQDFREDTIA
AALPLLAQDFTPLSDMRASAAYRMNAAQAMALRYVRELSGEAVAVLEVMP
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain2w3s Chain E Residue 1464 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2w3s Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G38 C39 N40 G42 C44 G45 C47 C63
Binding residue
(residue number reindexed from 1)		G38 C39 N40 G42 C44 G45 C47 C63
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.204: Transferred entry: 1.17.1.4.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004854 xanthine dehydrogenase activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:2w3s, PDBe:2w3s, PDBj:2w3s
PDBsum2w3s
PubMed19109249
UniProtO54050

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