Structure of PDB 7nrf Chain A Binding Site BS04

Receptor Information

>7nrf Chain A (length=368) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSFNFGIGYGTESGVSFQAGVQQDNWLGTGYAVGINGTKNDYQTYAELSV
TNPYFTVDGVSLGGRLFYNDFQADDADLSDYTNKSYGTDVTLGFPINEYN
SLRAGLGYVHNSLSNMQPQVAMWRYLYSMGEHPSTSDQDNSFKTDDFTFN
YGWTYNKLDRGYFPTDGSRVNLTGKVTIPGSDNEYYKVTLDTATYVPIDD
DHKWVVLGRTRWGYGDGLGGKEMPFYENFYAGGSSTVRGFQSNTIGPKAV
YFPHQDLSKSDDAVGGNAMAVASLEFITPTPFISDKYANSVRTSFFWDMG
TVWDTNWDSSQYSGYPDYSDPSNIRMSAGIALQWMSPLGPLVFSYAQPFK
KYDGDKAEQFQFNIGKTW

Ligand information

Ligand ID

C8E

InChI

InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3

InChIKey

FEOZZFHAVXYAMB-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCOCCOCCOCCOCCO

Formula

C16 H34 O5

Name

(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE

PDB chain

7nrf Chain A Residue 1006 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7nrf The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	F572 P602
Binding residue (residue number reindexed from 1)	F149 P179
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Biological Process
GO:0071709	membrane assembly

	Cellular Component
GO:0019867	outer membrane

View graph for
Biological Process

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Cellular Component

External links

PDB	RCSB:7nrf, PDBe:7nrf, PDBj:7nrf
PDBsum	7nrf
PubMed	33854236
UniProt	P0A940\|BAMA_ECOLI Outer membrane protein assembly factor BamA (Gene Name=bamA)

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