Structure of PDB 1grq Chain A Binding Site BS01

Receptor Information

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

MTTRMIILNGGSSAGKSGIVRCLQSVLPEPWLAFGVDSLIEAMPLKMQSA
EGGIEFDADGGVSIGPEFRALEGAWAEGVVAMARAGARIIIDDVFLGGAA
AQERWRSFVGDLDVLWVGVRCDGAVAEGRETARGDRVAGMAAKQAYVVHE
GVEYDVEVDTTHKESIECAWAIAAHVVP

Ligand information

• Ligand ID: CLK
• InChI: InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1
• InChIKey: BFLNGKUCFYKCFZ-RKDXNWHRSA-N
• SMILES:
  CACTVS 3.341: Nc1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
  CACTVS 3.341: Nc1ccc(cc1)[CH](O)[CH](CO)NC(=O)C(Cl)Cl
  ACDLabs 10.04: ClC(Cl)C(=O)NC(C(O)c1ccc(N)cc1)CO
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)N
  OpenEye OEToolkits 1.5.0: c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N
• Formula: C11 H14 Cl2 N2 O3
• Name: ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL
• DrugBank: DB04411
• ZINC: ZINC000002525836
• PDB chain: 1grq Chain A Residue 999

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1grq Structural Basis for Chloramphenicol Tolerance in Streptomyces Venezuelae by Chloramphenicol Phosphotransferase Activity
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): S12 K16 V36 D37 V94 L96 M140
• Binding residue (residue number reindexed from 1): S12 K16 V36 D37 V94 L96 M140
• Annotation score: 1

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:1grq, PDBe:1grq, PDBj:1grq
• PDBsum: 1grq
• PubMed: 11468347
• UniProt: Q56148|CPT_STRVP Chloramphenicol 3-O phosphotransferase (Gene Name=SVEN_4064)