Structure of PDB 4dl8 Chain A Binding Site BS02

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 IDAF3
InChIInChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
InChIKeyKLZUFWVZNOTSEM-UHFFFAOYSA-K
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al](F)F
FormulaAl F3
NameALUMINUM FLUORIDE
ChEMBL
DrugBank
ZINC
PDB chain4dl8 Chain A Residue 302 [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)		E48 E51 D79 K208 R215 K227
Binding residue
(residue number reindexed from 1)		E42 E45 D73 K145 R152 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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