Structure of PDB 1exc Chain A Binding Site BS01

Receptor Information
>1exc Chain A (length=185) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKPLILASQSPRRKELLDLLQLPYSIIVSEVEEKLNRNFSPEENVQWLA
KQKAKAVADLHPHAIVIGADTMVCLDGECLGKPQDQEEAASMLRRLSGRS
HSVITAVSIQAENHSETFYDKTEVAFWSLSEEEIWTYIETKEPMDKAGAY
GIQGRGALFVKKIDGDYYSVMGLPISKTMRALRHF
Ligand information
Ligand IDDUT
InChIInChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyAHCYMLUZIRLXAA-SHYZEUOFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
FormulaC9 H15 N2 O14 P3
NameDEOXYURIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL374361
DrugBankDB02333
ZINCZINC000008215971
PDB chain1exc Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1exc Functional implications from crystal structures of the conserved Bacillus subtilis protein Maf with and without dUTP.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S9 R14 E34 K53
Binding residue
(residue number reindexed from 1)		S9 R14 E34 K53
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.1.9: nucleotide diphosphatase.
Gene Ontology
Molecular Function
GO:0016462 pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0036218 dTTP diphosphatase activity
GO:0036221 UTP diphosphatase activity
GO:0047429 nucleoside triphosphate diphosphatase activity
Biological Process
GO:0009117 nucleotide metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1exc, PDBe:1exc, PDBj:1exc
PDBsum1exc
PubMed10841541
UniProtQ02169|NTPPA_BACSU dTTP/UTP pyrophosphatase (Gene Name=maf)

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