Structure of PDB 4dl8 Chain A Binding Site BS03

Receptor Information
>4dl8 Chain A (length=224) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSLSPLILRSLAELQDGLNTVVDKNWRQLRRPGDWSLAITMEAAELLDSY
PWKWWKNVKAQPDLQNVKIELTDILHFSLSGAMQVSDENLADFMFFPLSD
TNNALASFQNIIRLASLQRFQLVTSAVIAAADDIGFNLVAYYVAKHTLNG
IRQMKGYKDGTYVKVQKGVEDNELLHGCISPFSLDDVTNEGNYKTKWDDI
MHRVYDAFGTPKEERLNIGHWLKS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4dl8 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dl8 On the catalytic mechanism of dimeric dUTPases.
Resolution1.698 Å
Binding residue
(original residue number in PDB)		E51 K227
Binding residue
(residue number reindexed from 1)		E45 K164
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
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4dl8, PDBe:4dl8, PDBj:4dl8
PDBsum4dl8
PubMed24001052
UniProtQ57ZH3

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