Structure of PDB 1jrp Chain D Binding Site BS02

Receptor Information
>1jrp Chain D (length=760) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVGKPLPHDSARAHVTGQARYLDDLPCPANTLHLAFGLSTEASAAITGLD
LEPVRESPGVIAVFTAADLPHDNDASPAPSPEPVLATGEVHFVGQPIFLV
AATSHRAARIAARKARITYAPRPAILTLDQALAADSRFEGGPVIWARGDV
ETALAGAAHLAEGCFEIGGQEHFYLEGQAALALPAEGGVVIHCSSQHPSE
IQHKVAHALGLAFHDVRVEMRRMGGGFGGKESQGNHLAIACAVAARATGR
PCKMRYDRDDDMVITGKRHDFRIRYRIGADASGKLLGADFVHLARCGWSA
DLSLPVCDRAMLHADGSYFVPALRIESHRLRTNTQSNTAFRGFGGPQGAL
GMERAIEHLARGMGRDPAELRALNFYDPPEKKTQTTHYGQEVADCVLGEL
VTRLQKSANFTTRRAEIAAWNSTNRTLARGIALSPVKFGISFTLTHLNQA
GALVQIYTDGSVALNHGGTEMGQGLHAKMVQVAAAVLGIDPVQVRITATD
TSKVPNTSATAASSGADMNGMAVKDACETLRGRLAGFVAAREGCAARDVI
FDAGQVQASGKSWRFAEIVAAAYMARISLSATGFYATPKLSWDRLRGQGR
PFLYFAYGAAITEVVIDRLTGENRILRTDILHDAGASLNPALDIGQIEGA
YVQGAGWLTTEELVWDHCGRLMTHAPSTYKIPAFSDRPRIFNVALWDQPN
REETIFRSKAVGEPPFLLGISAFLALHDACAACGPHWPDLQAPATPEAVL
AAVRRAEGRA
Ligand information
Ligand ID141
InChIInChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyHXNFUBHNUDHIGC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1N=C2C(C(=O)N1)=CNN2
OpenEye OEToolkits 1.7.6C1=C2C(=NC(=O)NC2=O)NN1
CACTVS 3.385O=C1NC(=O)C2=CNNC2=N1
FormulaC5 H4 N4 O2
NameOxypurinol;
Alloxanthine
ChEMBLCHEMBL859
DrugBankDB05262
ZINCZINC000084462581
PDB chain1jrp Chain D Residue 4000 [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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PDB1jrp Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus
Resolution3.0 Å
Binding residue
(original residue number in PDB)		E232 R310 F344 F459 A528 A529 E730
Binding residue
(residue number reindexed from 1)		E231 R309 F343 F442 A511 A512 E713
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q197 E232 R310 H314 R342 G729 E730
Catalytic site (residue number reindexed from 1) Q196 E231 R309 H313 R341 G712 E713
Enzyme Commision number 1.1.1.204: Transferred entry: 1.17.1.4.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1jrp, PDBe:1jrp, PDBj:1jrp
PDBsum1jrp
PubMed11796116
UniProtO54051

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