Structure of PDB 4dl8 Chain A Binding Site BS05

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 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 chain4dl8 Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4dl8 On the catalytic mechanism of dimeric dUTPases.
Resolution1.698 Å
Binding residue
(original residue number in PDB)		E48 E51 E76 D79
Binding residue
(residue number reindexed from 1)		E42 E45 E70 D73
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

[Back to BioLiP]