Structure of PDB 3rp7 Chain A Binding Site BS01

Receptor Information
>3rp7 Chain A (length=389) Species: 272620 (Klebsiella pneumoniae subsp. pneumoniae MGH 78578) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQGHMKAIVIGAGIGGLSAAVALKQSGIDCDVYEAVKEIKAAISVW
PNGVKCMAHLGMGDIMETFGGPLRRMAYRDFRSGENMTQFSLAPLIERTG
SRPCPVSRAELQREMLDYWGRDSVQFGKRVTRCEEDADGVTVWFTDGSSA
SGDLLIAADGSHSALRPWVLGFTPQRRYAGYVNWNGLVEIDEALAPGDQW
TTFVGEGKRVSLMPVSAGRFYFFFDVPLPAGLAEDRDTLRADLSRYFAGW
APPVQKLIAALDPQTTNRIEIHDIEPFSRLVRGRVALLGDAGHSTTPDIG
QGGCAAMEDAVVLGAVFRQTRDIAAALREYEAQRCDRVRDLVLKARKRCD
ITHGKDMQLTEAWYQELREETGERIINGMCDTILSGPLG
Ligand information
Ligand IDURC
InChIInChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChIKeyLEHOTFFKMJEONL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)C2=C(N1)NC(=O)N2
OpenEye OEToolkits 1.5.0C12=C(NC(=O)N1)NC(=O)NC2=O
ACDLabs 10.04O=C1C2=C(NC(=O)N1)NC(=O)N2
FormulaC5 H4 N4 O3
NameURIC ACID;
7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE
ChEMBLCHEMBL792
DrugBankDB08844
ZINCZINC000002041003
PDB chain3rp7 Chain A Residue 7579 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rp7 Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae.
Resolution2.042 Å
Binding residue
(original residue number in PDB)		R204 F218 P292 D293
Binding residue
(residue number reindexed from 1)		R209 F223 P297 D298
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.13.113: FAD-dependent urate hydroxylase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0004846 urate oxidase activity
GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
GO:0071949 FAD binding
GO:0102099 FAD-dependent urate hydroxylase activity
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0019628 urate catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3rp7, PDBe:3rp7, PDBj:3rp7
PDBsum3rp7
PubMed23259842
UniProtA6T923|HPXO_KLEP7 FAD-dependent urate hydroxylase (Gene Name=hpxO)

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