Structure of PDB 3ax9 Chain B Binding Site BS05

Receptor Information
>3ax9 Chain B (length=1218) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TADELVFFVNGKKVVEKNADPETTLLAYLRRKLGLRGTKLGCGEGGCGAC
TVMLSKYDRLQDKIIHFSANACLAPICTLHHVAVTTVEGIGSTKTRLHPV
QERIAKSHGSQCGFCTPGIVMSMYTLLRNQPEPTVEEIEDAFQGNLCRCT
GYRPILQGFRTFAKPKQLRFEGERVTWIQASTLKELLDLKAQHPEAKLVV
GNTEIGIEMKFKNQLFPMIICPAWIPELNAVEHGPEGISFGAACALSSVE
KTLLEAVAKLPTQKTEVFRGVLEQLRWFAGKQVKSVASLGGNIITASPIS
DLNPVFMASGTKLTIVSRGTRRTVPMDHTFFPSYRKTLLGPEEILLSIEI
PYSREDEFFSAFKQASRREDDIAKVTCGMRVLFQPGSMQVKELALCYGGM
ADRTISALKTTQKQLSKFWNEKLLQDVCAGLAEELSLSPDAPGGMIEFRR
TLTLSFFFKFYLTVLKKLGDTVGRPLPHLAAAMQASGEAVYCDDIPRYEN
ELFLRLVTSTRAHAKIKSIDVSEAQKVPGFVCFLSADDIPGSNETGLFND
ETVFAKDTVTCVGHIIGAVVADTPEHAERAAHVVKVTYEDLPAIITIEDA
IKNNSFYGSELKIEKGDLKKGFSEADNVVSGELYIGGQDHFYLETHCTIA
IPKGEEGEMELFVSTQNAMKTQSFVAKMLGVPVNRILVRVKRMGGGFGGK
ETRSTLVSVAVALAAYKTGHPVRCMLDRNEDMLITGGRHPFLARYKVGFM
KTGTIVALEVDHYSNAGNSRDLSHSIMERALFHMDNCYKIPNIRGTGRLC
KTNLSSNTAFRGFGGPQALFIAENWMSEVAVTCGLPAEEVRWKNMYKEGD
LTHFNQRLEGFSVPRCWDECLKSSQYYARKSEVDKFNKENCWKKRGLCII
PTKFGISFTVPFLNQAGALIHVYTDGSVLVSHGGTEMGQGLHTKMVQVAS
KALKIPISKIYISETSTNTVPNSSPTAASVSTDIYGQAVYEACQTILKRL
EPFKKKNPDGSWEDWVMAAYQDRVSLSTTGFYRTPNLGYSFETNSGNAFH
YFTYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAFVQ
GLGLFTLEELHYSPEGSLHTRGPSTYKIPAFGSIPTEFRVSLLRDCPNKK
AIYASKAVGEPPLFLGASVFFAIKDAIRAARAQHTNNNTKELFRLDSPAT
PEKIRNACVDKFTTLCVT
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3ax9 Chain B Residue 1336 [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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PDB3ax9 Protein conformational gating of enzymatic activity in xanthine oxidoreductase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		A867 S870 R871 S874 S907 N908
Binding residue
(residue number reindexed from 1)		A766 S769 R770 S773 S806 N807
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) Q666 E701 R779 H783 R811 G1159 E1160
Enzyme Commision number 1.17.1.4: xanthine dehydrogenase.
1.17.3.2: xanthine oxidase.
Gene Ontology
Molecular Function
GO:0004854 xanthine dehydrogenase activity
GO:0004855 xanthine oxidase activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0042803 protein homodimerization activity
GO:0043546 molybdopterin cofactor binding
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
Biological Process
GO:0009115 xanthine catabolic process
Cellular Component
GO:0002197 xanthine dehydrogenase complex
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ax9, PDBe:3ax9, PDBj:3ax9
PDBsum3ax9
PubMed22145797
UniProtP80457|XDH_BOVIN Xanthine dehydrogenase/oxidase (Gene Name=XDH)

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