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Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor


Experimental Data Snapshot

  • Method: ELECTRON MICROSCOPY
  • Resolution: 3.23 Å
  • Aggregation State: PARTICLE 
  • Reconstruction Method: SINGLE PARTICLE 

wwPDB Validation   3D Report Full Report


This is version 1.0 of the entry. See complete history


Literature

Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor at 3.23 A resolution

Boernsen, C.Mueller, R.T.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Multidrug efflux pump subunit AcrB
A, B, C
1,049Escherichia coli K-12Mutation(s): 0 
Gene Names: acrB
Membrane Entity: Yes 
UniProt
Find proteins for P31224 (Escherichia coli (strain K12))
Explore P31224 
Go to UniProtKB:  P31224
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP31224
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
WR6
Query on WR6

Download Ideal Coordinates CCD File 
E [auth B][(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate
C40 H79 O10 P
QVTMHGKJALUQCM-XPSQVAKYSA-N
XE9 (Subject of Investigation/LOI)
Query on XE9

Download Ideal Coordinates CCD File 
D [auth A][3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine
C20 H21 Cl N4
PMBAQAZUQBDHLD-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: ELECTRON MICROSCOPY
  • Resolution: 3.23 Å
  • Aggregation State: PARTICLE 
  • Reconstruction Method: SINGLE PARTICLE 
EM Software:
TaskSoftware PackageVersion
RECONSTRUCTIONcryoSPARC4

Structure Validation

View Full Validation Report



Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
German Federal Ministry for Education and ResearchGermanyBMBF- 16GW0236K
Agence Nationale de la Recherche (ANR)FranceANR-19-AMRB-0007

Revision History  (Full details and data files)

  • Version 1.0: 2024-11-06
    Type: Initial release