Structure of PDB 2vr2 Chain A Binding Site BS02

Receptor Information
>2vr2 Chain A (length=478) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLLIRGGRVVNDDFSEVADVLVEDGVVRALGHLRVLDAAGKLVLPGGID
THTHMQFPFMGSRSIDDFHQGTKAALSGGTTMIIDFAIPQKGGSLIEAFE
TWRSWADPKVCCDYSLHVAVTWWSDQVKEEMKILVQDKGVNSFKMFMAYK
DLYMVTDLELYEAFSRCKEIGAIAQVHAENGDLIAEGAKKMLALGITGPE
GHELCRPEAVEAEATLRAITIASAVNCPLYIVHVMSKSAAKVIADARRDG
KVVYGEPIAASLGTDGTHYWNKEWHHAAHHVMGPPLRPDPSTPDFLMNLL
ANDDLTTTGTDNCTFNTCQKALGKDDFTKIPNGVNGVEDRMSVIWEKGVH
SGKMDENRFVAVTSTNAAKIFNLYPRKGRIAVGSDADIVIWDPKGTRTIS
AKTHHQAVNFNIFEGMVCHGVPLVTISRGKVVYEAGVFSVTAGDGKFIPR
KPFAEYIYKRIKQRDRTCTPTPVERAPY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2vr2 Chain A Residue 1495 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vr2 The Crystal Structure of Human Dihydropyrimidinase
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K159 H192 H248
Binding residue
(residue number reindexed from 1)		K144 H177 H233
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D100 G107 S139 Q141 S276 A336
Catalytic site (residue number reindexed from 1) D85 G92 S124 Q126 S261 A321
Enzyme Commision number 3.5.2.2: dihydropyrimidinase.
Gene Ontology
Molecular Function
GO:0004157 dihydropyrimidinase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051219 phosphoprotein binding
Biological Process
GO:0006208 pyrimidine nucleobase catabolic process
GO:0006210 thymine catabolic process
GO:0006212 uracil catabolic process
GO:0006248 CMP catabolic process
GO:0006249 dCMP catabolic process
GO:0046050 UMP catabolic process
GO:0046079 dUMP catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vr2, PDBe:2vr2, PDBj:2vr2
PDBsum2vr2
PubMed
UniProtQ14117|DPYS_HUMAN Dihydropyrimidinase (Gene Name=DPYS)

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