Structure of PDB 7nre Chain A Binding Site BS04

Receptor Information
>7nre Chain A (length=369) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGSFNFGIGYGTESGVSFQAGVQQDNWLGTGYAVGINGTKNDYQTYAELS
VTNPYFTVDGVSLGGRLFYNDFQADDADLSDYTNKSYGTDVTLGFPINEY
NSLRAGLGYVHNSLSNMQPQVAMWRYLYSMGEHPSTSDQDNSFKTDDFTF
NYGWTYNKLDRGYFPTDGSRVNLTGKVTIPGSDNEYYKVTLDTATYVPID
DDHKWVVLGRTRWGYGDGLGGKEMPFYENFYAGGSSTVRGFQSNTIGPKA
VYFPHQDLSKSDDAVGGNAMAVASLEFITPTPFISDKYANSVRTSFFWDM
GTVWDTNWDSSQYSGYPDYSDPSNIRMSAGIALQWMSPLGPLVFSYAQPF
KKYDGDKAEQFQFNIGKTW
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7nre Chain A Residue 1006 [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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PDB7nre The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D703 K798
Binding residue
(residue number reindexed from 1)		D262 K357
Annotation score4
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:7nre, PDBe:7nre, PDBj:7nre
PDBsum7nre
PubMed33854236
UniProtP0A940|BAMA_ECOLI Outer membrane protein assembly factor BamA (Gene Name=bamA)

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