Structure of PDB 6rfx Chain C Binding Site BS02

Receptor Information

>6rfx Chain C (length=403) Species: 36809 (Mycobacteroides abscessus)

ELTLRTIADEDDYESYMASAYSVFLRDPQKDEIEVNRKFTELDRMIGFHD
GKKWVATTGAFSRHVVLPGGAVVPVAAVTAVTVSPTHRRRGLLTTMMRHQ
LADIRSRGESLAMLFASYGRFGYGVATESAELSGQVRELAFRPTVDLGDG
TLEEVSAETFLASAPAIYDAVIPGLPGQMSRTPEWWASWTLDSEELQKES
GKVRFVLHYESDGTASGFAIYRPKPGWGGPNAELHVQEVLGTNPRSYART
WRYLLDMDLVRKIKYHGASVQEELRYLVANHPSLECVVSDAIQVRLVDIP
RALAQRRYAADVDVVLEVTDDFLPENSGRYRLRGGLDHASCEITTDDADI
ALTVRDLGSVYMGGVSLQVLASAGLVTELRAGAVQRAATAFGWPVAPSAP
DDF

Ligand information

• Ligand ID: P4K
• InChI: InChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3
• InChIKey: WWPGFZAAWXFBTF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385
  OpenEye OEToolkits 2.0.6: CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
  ACDLabs 12.01: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
• Formula: C30 H62 O15
• Name: polyethylene glycol;
  3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
• PDB chain: 6rfx Chain C Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6rfx Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): Y23 F26 D410
• Binding residue (residue number reindexed from 1): Y21 F24 D402
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.1.-

Gene Ontology

Molecular Function

• GO:0008080 N-acetyltransferase activity
• GO:0016746 acyltransferase activity
• GO:0034069 aminoglycoside N-acetyltransferase activity

Biological Process

• GO:0030649 aminoglycoside antibiotic catabolic process

External links

• PDB: RCSB:6rfx, PDBe:6rfx, PDBj:6rfx
• PDBsum: 6rfx
• PubMed: 31254444
• UniProt: A0A1M9A4M7