Structure of PDB 2cje Chain A Binding Site BS02

Receptor Information
>2cje Chain A (length=258) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIPGAILHSLAELQDGLNAMIDPSWRAVRSLDNWALAITMESTELLDSYP
WKWWKNLNATPDLANVRIELVDIFHFSLSGAMQMRSTPDDEIPAASLKPL
KEVMTTFLPAKECTSDPYGFVFFPLTDTQNAIASFRNIIQLANAYRFDVI
IECIIYAAEDLGFNLVAYYIAKHTLNCIRQLSGYKDGSYVKVNNGVEDNS
LLHNCIKDVSLDEVLDADKYVQAWNSIMANVYEAFQIKESDRKDAERWFA
LAKENRLA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2cje Chain A Residue 1267 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cje The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		E48 E51
Binding residue
(residue number reindexed from 1)		E41 E44
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
Cellular Component
GO:0005654 nucleoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:2cje, PDBe:2cje, PDBj:2cje
PDBsum2cje
PubMed21454646
UniProtO15826

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