Structure of PDB 2cic Chain A Binding Site BS02

Receptor Information
>2cic Chain A (length=223) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTNIEILENMLKLQQKLNDETNGLNWENGYTKEGKLISWRRCIYMECAEL
IDSFTWKHWKNISSLTNWENVRIEIVDIWHFILSLLLEEYDFKAIATEVN
AVSVFQDFCKEEEYPNEGDIYGILNDIELIIHKCSGFGFNLGELLSTYFT
LAIKCGLNLEILYKTYIGKNVLNIFRQNNGYKDGSYKKTWNGKEDNEVLA
QILEQELDFDTIYKKLEECYKKA
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 chain2cic Chain A Residue 1970 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cic The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E46 E74 D77
Binding residue
(residue number reindexed from 1)		E46 E74 D77
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

View graph for
Molecular Function
External links
PDB RCSB:2cic, PDBe:2cic, PDBj:2cic
PDBsum2cic
PubMed21454646
UniProtQ0P8G4

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