Structure of PDB 1exc Chain B Binding Site BS01

Receptor Information
>1exc Chain B (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 B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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 Q10 R14 V32 E34 K53
Binding residue
(residue number reindexed from 1)		S9 Q10 R14 V32 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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