Structure of PDB 1qhs Chain A Binding Site BS02

Receptor Information

>1qhs Chain A (length=178) Species: 54571 (Streptomyces venezuelae)

MTTRMIILNGGSSAGKSGIVRCLQSVLPEPWLAFGVDSLIEAMPLKMQSA
EGGIEFDADGGVSIGPEFRALEGAWAEGVVAMARAGARIIIDDVFLGGAA
AQERWRSFVGDLDVLWVGVRCDGAVAEGRETARGDRVAGMAAKQAYVVHE
GVEYDVEVDTTHKESIECAWAIAAHVVP

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: 1qhs Chain A Residue 999

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1qhs The Crystal Structures of Chloramphenicol Phosphotransferase Reveal a Novel Inactivation Mechanism
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): V36 D37 I40 V94 L96 R136 M140 Q144
• Binding residue (residue number reindexed from 1): V36 D37 I40 V94 L96 R136 M140 Q144
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 2.7.1.-

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0016740 transferase activity

Biological Process

• GO:0016310 phosphorylation
• GO:0046677 response to antibiotic

External links

• PDB: RCSB:1qhs, PDBe:1qhs, PDBj:1qhs
• PDBsum: 1qhs
• PubMed: 10835366
• UniProt: Q56148|CPT_STRVP Chloramphenicol 3-O phosphotransferase (Gene Name=SVEN_4064)