› 4lse

X-ray diffraction
2.1Å resolution

Ion selectivity of OmpF porin soaked in 0.2M NaBr

Released:
DOI: 10.2210/pdb4lse/pdb
PDB entry 4lse coloured by chain, front view.
PDB entry 4lse coloured by chain, side view.
PDB entry 4lse coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
Dhakshnamoorthy B, Ziervogel BK, Blachowicz L, Roux B
J Am Chem Soc 135 16561-8 (2013)
PMID: 24106986

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136399 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Outer membrane porin F Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 341 amino acids
Theoretical weight: 37.17 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P02931 (Residues: 23-362; Coverage: 100%)
Gene names: JW0912, b0929, cmlB, coa, cry, ompF, tolF
Sequence domains: Gram-negative porin
Structure domains: Porin

Ligands and Environments

4 bound ligands:
Ligand BR 8 x BR
Ligand MG 6 x MG
Ligand PEG 4 x PEG
Ligand C8E 2 x C8E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 76.697Å b: 112.103Å c: 131.169Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.232 0.229 0.29
Expression system: Escherichia coli K-12

Quick links

Citations

3 review citations

Porins and small-molecule translocation across the outer membrane of Gram-negative bacteria.
Vergalli et al. (2020)
2 more

3 mentions without citation

Predicting binding sites from unbound versus bound protein structures.
Clark et al. (2020)
2 more