Structure of PDB 1wyg Chain A Binding Site BS02
Receptor Information
>1wyg Chain A (length=1297) Species:
10116
(Rattus norvegicus) [
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ADELVFFVNGKKVVEKNADPETTLLVYLRRKLGLCGTKLGCGEGGCGACT
VMISKYDRLQNKIVHFSVNACLAPICSLHHVAVTTVEGIGNTQKLHPVQE
RIARSHGSQCGFCTPGIVMSMYTLLRNQPEPTVEEIENAFQGNLCRCTGY
RPILQGFRTFAKPSLFNPEDFKPLDPTQEPIFPPELLRLKDTPQKKLRFE
GERVTWIQASTMEELLDLKAQHPDAKLVVGNTEIGIEMKFKNMLFPLIVC
PAWIPELNSVVHGPEGISFGASCPLSLVESVLAEEIAKLPEQKTEVFRGV
MEQLRWFAGKQVKSVASIGGNIITASPISDLNPVFMASGAKLTLVSRGTR
RTVRMDHTFFPGYRKTLLRPEEILLSIEIPYSKEGEFFSAFKQASRREDD
IAKVTSGMRVLFKPGTIEVQELSLCFGGMADRTISALKTTPKQLSKSWNE
ELLQSVCAGLAEELQLAPDAPGGMVEFRRTLTLSFFFKFYLTVLQKLGRA
DLEDMAGKLDPTFASATLLFQKDPPANVQLFQEVPKDQSEEDMVGRPLPH
LAANMQASGEAVYCDDIPRYENELSLRLVTSTRAHAKITSIDTSEAKKVP
GFVCFLTAEDVPNSNATGLFNDETVFAKDEVTCVGHIIGAVVADTPEHAQ
RAARGVKITYEDLPAIITIQDAINNNSFYGSEIKIEKGDLKKGFSEADNV
VSGELYIGGQEHFYLETNCTIAVPKGEAGEMELFVSTQNTMKTQSFVAKM
LGVPDNRIVVRVKRMGGGFGGKETRSTVVSTALALAAHKTGRPVRCMLDR
DEDMLITGGRHPFLAKYKVGFMKTGTVVALEVAHFSNGGNTEDLSRSIME
RALFHMDNAYKIPNIRGTGRICKTNLPSNTAFRGFGGPQGMLIAEYWMSE
VAITCGLPAEEVRRKNMYKEGDLTHFNQKLEGFTLPRCWDECIASSQYLA
RKREVEKFNRENRWKKRGLCIIPTKFGISFTLPFLNQGGALVHVYTDGSV
LLTHGGTEMGQGLHTKMVQVASRALKIPTSKIHISETSTNTVPNTSPTAA
SASADLNGQGVYEACQTILKRLEPFKKKKPTGPWEAWVMDAYTSAVSLSA
TGFYKTPNLGYSFETNSGNPFHYFSYGVACSEVEIDCLTGDHKNLRTDIV
MDVGSSLNPAIDIGQVEGAFVQGLGLFTMEELHYSPEGSLHTRGPSTYKI
PAFGSIPIEFRVSLLRDCPNKRAIYASKAVGEPPLFLASSIFFAIKDAIR
AARAQHGDNAKQLFQLDSPATPEKIRNACVDQFTTLCVTSKSWSVRI
Ligand information
Ligand ID
FES
InChI
InChI=1S/2Fe.2S
InChIKey
NIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0
S1[Fe]S[Fe]1
Formula
Fe2 S2
Name
FE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain
1wyg Chain A Residue 4002 [
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Receptor-Ligand Complex Structure
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PDB
1wyg
Mechanism of the Conversion of Xanthine Dehydrogenase to Xanthine Oxidase: IDENTIFICATION OF THE TWO CYSTEINE DISULFIDE BONDS AND CRYSTAL STRUCTURE OF A NON-CONVERTIBLE RAT LIVER XANTHINE DEHYDROGENASE MUTANT
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
Q111 C112 C115 C147 C149 L744
Binding residue
(residue number reindexed from 1)
Q109 C110 C113 C145 C147 L715
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
Q767 E802 R880 H884 R912 G1260 E1261
Catalytic site (residue number reindexed from 1)
Q738 E773 R851 H855 R883 G1231 E1232
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:0042802
identical protein binding
GO:0042803
protein homodimerization activity
GO:0043546
molybdopterin cofactor binding
GO:0046872
metal ion binding
GO:0050421
nitrite reductase (NO-forming) activity
GO:0050660
flavin adenine dinucleotide binding
GO:0051536
iron-sulfur cluster binding
GO:0051537
2 iron, 2 sulfur cluster binding
GO:0070674
hypoxanthine dehydrogenase activity
GO:0070675
hypoxanthine oxidase activity
GO:0071949
FAD binding
Biological Process
GO:0000255
allantoin metabolic process
GO:0001937
negative regulation of endothelial cell proliferation
GO:0006147
guanine catabolic process
GO:0006148
inosine catabolic process
GO:0006149
deoxyinosine catabolic process
GO:0006154
adenosine catabolic process
GO:0006157
deoxyadenosine catabolic process
GO:0006161
deoxyguanosine catabolic process
GO:0006196
AMP catabolic process
GO:0006204
IMP catabolic process
GO:0007595
lactation
GO:0009114
hypoxanthine catabolic process
GO:0009115
xanthine catabolic process
GO:0010044
response to aluminum ion
GO:0010629
negative regulation of gene expression
GO:0016226
iron-sulfur cluster assembly
GO:0030856
regulation of epithelial cell differentiation
GO:0032496
response to lipopolysaccharide
GO:0034465
response to carbon monoxide
GO:0042542
response to hydrogen peroxide
GO:0043605
amide catabolic process
GO:0045602
negative regulation of endothelial cell differentiation
GO:0046038
GMP catabolic process
GO:0046055
dGMP catabolic process
GO:0046059
dAMP catabolic process
GO:0051898
negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0071347
cellular response to interleukin-1
GO:0071356
cellular response to tumor necrosis factor
GO:0097184
response to azide
GO:1900745
positive regulation of p38MAPK cascade
GO:1900747
negative regulation of vascular endothelial growth factor signaling pathway
GO:2000379
positive regulation of reactive oxygen species metabolic process
GO:2001213
negative regulation of vasculogenesis
Cellular Component
GO:0005576
extracellular region
GO:0005615
extracellular space
GO:0005737
cytoplasm
GO:0005777
peroxisome
GO:0005829
cytosol
GO:0016529
sarcoplasmic reticulum
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1wyg
,
PDBe:1wyg
,
PDBj:1wyg
PDBsum
1wyg
PubMed
15878860
UniProt
P22985
|XDH_RAT Xanthine dehydrogenase/oxidase (Gene Name=Xdh)
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