Structure of PDB 2xat Chain A Binding Site BS01

Receptor Information

>2xat Chain A (length=208) Species: 287 (Pseudomonas aeruginosa)

NYFESPFRGKLLSEQVSNPNIRVGRYSYYSGYYHGHSFDDCARYLMPDRD
DVDKLVIGSFCSIGSGAAFIMAGNQGHRAEWASTFPFHFMHEEPAFAGAV
NGYQPAGDTLIGHEVWIGTEAMFMPGVRVGHGAIIGSRALVTGDVEPYAI
VGGNPARTIRKRFSDGDIQNLLEMAWWDWPLADIEAAMPLLCTGDIPALY
QHWKQRQA

Ligand information

• Ligand ID: CLM
• InChI: InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
• InChIKey: WIIZWVCIJKGZOK-RKDXNWHRSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
  CACTVS 3.341: OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O
  OpenEye OEToolkits 1.5.0: c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
  CACTVS 3.341: OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O
  ACDLabs 10.04: ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO
• Formula: C11 H12 Cl2 N2 O5
• Name: CHLORAMPHENICOL
• ChEMBL: CHEMBL130
• DrugBank: DB00446
• ZINC: ZINC000000113382
• PDB chain: 2xat Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xat Structure of the hexapeptide xenobiotic acetyltransferase from Pseudomonas aeruginosa.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): P8 F9 R10 Y30
• Binding residue (residue number reindexed from 1): P6 F7 R8 Y28
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 2.3.1.28: chloramphenicol O-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0008811 chloramphenicol O-acetyltransferase activity
• GO:0016746 acyltransferase activity

Biological Process

• GO:0046677 response to antibiotic

External links

• PDB: RCSB:2xat, PDBe:2xat, PDBj:2xat
• PDBsum: 2xat
• PubMed: 9578552
• UniProt: P26841|CAT4_PSEAE Chloramphenicol acetyltransferase (Gene Name=cat)