Structure of PDB 1xco Chain B Binding Site BS01

Receptor Information

>1xco Chain B (length=324) Species: 1423 (Bacillus subtilis)

GMADLFSTVQEKVAGKDVKIVFPEGLDERILEAVSKLAGNKVLNPIVIGN
ENEIQAKAKELNLTLGGVKIYDPHTYEGMEDLVQAFVERRKGKATEEQAR
KALLDENYFGTMLVYKGLADGLVSGAAHSTADTVRPALQIIKTKEGVKKT
SGVFIMARGEEQYVFADCAINIAPDSQDLAEIAIESANTAKMFDIEPRVA
MLSFSTKGSAKSDETEKVADAVKIAKEKAPELTLDGEFQFDAAFVPSVAE
KKAPDSEIKGDANVFVFPSLEAGNIGYKIAQRLGNFEAVGPILQGLNMPV
NDLSRGCNAEDVYNLALITAAQAL

Ligand information

• Ligand ID: UVW
• InChI: InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
• InChIKey: LIPOUNRJVLNBCD-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: CC(=O)O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: CC(=O)OP(=O)(O)O
  ACDLabs 10.04: O=C(OP(=O)(O)O)C
• Formula: C2 H5 O5 P
• Name: ACETYLPHOSPHATE
• DrugBank: DB02897
• ZINC: ZINC000003869379
• PDB chain: 1xco Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1xco Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): Q238 K251
• Binding residue (residue number reindexed from 1): Q239 K252
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 2.3.1.8: phosphate acetyltransferase.

Gene Ontology

Molecular Function

• GO:0008959 phosphate acetyltransferase activity
• GO:0016407 acetyltransferase activity
• GO:0016746 acyltransferase activity

Biological Process

• GO:0006085 acetyl-CoA biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1xco, PDBe:1xco, PDBj:1xco
• PDBsum: 1xco
• PubMed: 16283428
• UniProt: P39646|PTAS_BACSU Phosphate acetyltransferase (Gene Name=pta)