Structure of PDB 3eub Chain C Binding Site BS01

Receptor Information
>3eub Chain C (length=753) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVGRPLPHLAAAMQASGEAVYCDDIPRYENELFLRLVTSTRAHAKIKSID
VSEAQKVPGFVCFLSADDIPGSNETGLFNDETVFAKDTVTCVGHIIGAVV
ADTPEHAERAAHVVKVTYEDLPAIITIEDAIKNNSFYGSELKIEKGDLKK
GFSEADNVVSGELYIGGQDHFYLETHCTIAIPKGEEGEMELFVSTQNAMK
TQSFVAKMLGVPVNRILVRVKRMGGGFGGKETRSTLVSVAVALAAYKTGH
PVRCMLDRNEDMLITGGRHPFLARYKVGFMKTGTIVALEVDHYSNAGNSR
DLSHSIMERALFHMDNCYKIPNIRGTGRLCKTNLSSNTAFRGFGGPQALF
IAENWMSEVAVTCGLPAEEVRWKNMYKEGDLTHFNQRLEGFSVPRCWDEC
LKSSQYYARKSEVDKFNKENCWKKRGLCIIPTKFGISFTVPFLNQAGALI
HVYTDGSVLVSHGGTEMGQGLHTKMVQVASKALKIPISKIYISETSTNTV
PNSSPTAASVSTDIYGQAVYEACQTILKRLEPFKKKNPDGSWEDWVMAAY
QDRVSLSTTGFYRTPNLGYSFETNSGNAFHYFTYGVACSEVEIDCLTGDH
KNLRTDIVMDVGSSLNPAIDIGQVEGAFVQGLGLFTLEELHYSPEGSLHT
RGPSTYKIPAFGSIPTEFRVSLLRDCPNKKAIYASKAVGEPPLFLGASVF
FAIKDAIRAARAQHTNNNTKELFRLDSPATPEKIRNACVDKFTTLCVTGA
PGN
Ligand information
Ligand IDMOM
InChIInChI=1S/Mo.H2O.2O/h;1H2;;/q+1;;;/p-1
InChIKeyWEHYDZQUOLJPRX-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04O=[Mo](=O)O
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O[Mo](=O)=O
FormulaH Mo O3
NameHYDROXY(DIOXO)MOLYBDENUM
ChEMBL
DrugBank
ZINC
PDB chain3eub Chain C Residue 1334 [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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PDB3eub Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G799 F911 R912 A1078 A1079 E1261
Binding residue
(residue number reindexed from 1)		G228 F340 R341 A507 A508 E690
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q767 E802 R880 H884 R912 G1260 E1261
Catalytic site (residue number reindexed from 1) Q196 E231 R309 H313 R341 G689 E690
Enzyme Commision number 1.17.1.4: xanthine dehydrogenase.
1.17.3.2: xanthine oxidase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding

View graph for
Molecular Function
External links
PDB RCSB:3eub, PDBe:3eub, PDBj:3eub
PDBsum3eub
PubMed19109252
UniProtP80457|XDH_BOVIN Xanthine dehydrogenase/oxidase (Gene Name=XDH)

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