Structure of PDB 2we0 Chain A Binding Site BS02

Receptor Information
>2we0 Chain A (length=247) Species: 10377 (Human herpesvirus 4 strain B95-8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHIRYAFQNDKLLLQQASVGRLTLVNKTTILLRPMKTTTVDLGLYARPPE
GHGLMLWGSTSRPVTSHVGIIDPGYTGELRLILQNQRRYNSTLRPSELKI
HLAAFRYATPQGPINHPQYPGDVGLDVSLPKDLALFPHQTVSVTLTVPPP
SIPHHRPTIFGRSGLAMQGILVKPCRWRRGGVDVSLTNFSDQTVFLNKYR
RFCQLVYLHKHHLTSFYSPHSDAGVLGPRSLFRWASCTFEEVPSLAM
Ligand information
Ligand IDTEO
InChIInChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1
InChIKeyQFBHYOKSQPPXHZ-UWTATZPHSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5C(=C(O)[O-])C(C(=O)[O-])O
OpenEye OEToolkits 1.7.5C(=C(\O)/[O-])\[C@H](C(=O)[O-])O
CACTVS 3.385O[CH](C=C(O)[O-])C([O-])=O
ACDLabs 10.04[O-]/C(O)=C/C(O)C([O-])=O
CACTVS 3.385O[C@H](\C=C(O)\[O-])C([O-])=O
FormulaC4 H4 O5
NameMALATE LIKE INTERMEDIATE
ChEMBL
DrugBankDB03343
ZINC
PDB chain2we0 Chain A Residue 1259 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2we0 The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		G78 D131
Binding residue
(residue number reindexed from 1)		G74 D122
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.23: dUTP diphosphatase.
Gene Ontology
Molecular Function
GO:0004170 dUTP diphosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0009117 nucleotide metabolic process
GO:0046080 dUTP metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2we0, PDBe:2we0, PDBj:2we0
PDBsum2we0
PubMed19586911
UniProtP03195|DUT_EBVB9 Deoxyuridine 5'-triphosphate nucleotidohydrolase (Gene Name=DUT)

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