› 3rgm

X-ray diffraction
2.6Å resolution

Crystal structure of spin-labeled BtuB T156R1

Released:
DOI: 10.2210/pdb3rgm/pdb
PDB entry 3rgm coloured by chain, front view.
PDB entry 3rgm coloured by chain, side view.
PDB entry 3rgm coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Molecular origin of electron paramagnetic resonance line shapes on β-barrel membrane proteins: the local solvation environment modulates spin-label configuration.
Freed DM, Khan AK, Horanyi PS, Cafiso DS
Biochemistry 50 8792-803 (2011)
PMID: 21894979

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138877 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Vitamin B12 transporter BtuB Chain: A
Molecule details ›
Chain: A
Length: 594 amino acids
Theoretical weight: 66.39 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P06129 (Residues: 21-614; Coverage: 100%)
Gene names: JW3938, b3966, bfe, btuB, cer, dcrC
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand C8E 6 x C8E
Ligand MG 9 x MG
Ligand MTN 1 x MTN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P3121
Unit cell:
a: 81.629Å b: 81.629Å c: 227.729Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.247 0.211 0.254
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Conformational dynamics and distribution of nitroxide spin labels.
Jeschke G. (2013)
1 more

4 mentions without citation

Molecular origin of electron paramagnetic resonance line shapes on β-barrel membrane proteins: the local solvation environment modulates spin-label configuration.
Freed et al. (2011)
3 more