Structure of PDB 6rfx Chain E Binding Site BS01

Receptor Information
>6rfx Chain E (length=406) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELTLRTIADEDDYESYMASAYSVFLRDPQKDEIEVNRKFTELDRMIGFHD
GKKWVATTGAFSRHVVLPGGAVVPVAAVTAVTVSPTHRRRGLLTTMMRHQ
LADIRSRGESLAMLFASEALIYGRFGYGVATESAELSGQVRELAFRPTVD
LGDGTLEEVSAETFLASAPAIYDAVIPGLPGQMSRTPEWWASWTLDSEEL
QKESGKVRFVLHYESDGTASGFAIYRPKPGWGPNAELHVQEVLGTNPRSY
ARTWRYLLDMDLVRKIKYHGASVQEELRYLVANHPSLECVVSDAIQVRLV
DIPRALAQRRYAADVDVVLEVTDDFLPENSGRYRLRGGLDHASCEITTDD
ADIALTVRDLGSVYMGGVSLQVLASAGLVTELRAGAVQRAATAFGWPVAP
SAPDDF
Ligand information
Ligand IDP4K
InChIInChI=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
InChIKeyWWPGFZAAWXFBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 12.01OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
FormulaC30 H62 O15
Namepolyethylene glycol;
3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
ChEMBL
DrugBank
ZINC
PDB chain6rfx Chain E Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6rfx Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y23 F26
Binding residue
(residue number reindexed from 1)		Y21 F24
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6rfx, PDBe:6rfx, PDBj:6rfx
PDBsum6rfx
PubMed31254444
UniProtA0A1M9A4M7

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