Structure of PDB 1eu5 Chain A Binding Site BS01

Receptor Information
>1eu5 Chain A (length=136) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMKKIDVKILDPRVGKEFPLPTYATSGSAGLDLRACLNDAVELAPGDTTL
VPTGLAIHIADPSLAAMMLPRSGLGHKHGIVLGNLVGLIDSDYQGQLMIS
VWNRGQDSFTIQPGERIAQMIFVPVVQAEFNLVEDF
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1eu5 Chain A Residue 154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1eu5 Atomic resolution structure of Escherichia coli dUTPase determined ab initio.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		Y93 M98
Binding residue
(residue number reindexed from 1)		Y93 M98
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A29 R71 G73 I80 D90
Catalytic site (residue number reindexed from 1) A29 R71 G73 I80 D90
Enzyme Commision number 3.6.1.23: dUTP diphosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004170 dUTP diphosphatase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006226 dUMP biosynthetic process
GO:0009117 nucleotide metabolic process
GO:0046081 dUTP catabolic process
GO:0070207 protein homotrimerization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1eu5, PDBe:1eu5, PDBj:1eu5
PDBsum1eu5
PubMed11375495
UniProtP06968|DUT_ECOLI Deoxyuridine 5'-triphosphate nucleotidohydrolase (Gene Name=dut)

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