Structure of PDB 1jro Chain E Binding Site BS02

Receptor Information
>1jro 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]
MEIAFLLNGETRRVRIEDPTQSLLELLRAEGLTGTKEGCNEGDCGACTVM
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 chain1jro Chain E Residue 3002 [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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PDB1jro Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E37 G38 C39 N40 G42 D43 C44 G45 C47 C63
Binding residue
(residue number reindexed from 1)		E37 G38 C39 N40 G42 D43 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:1jro, PDBe:1jro, PDBj:1jro
PDBsum1jro
PubMed11796116
UniProtO54050

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