› 4p56

X-ray diffraction
1.9Å resolution

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM BORDETELLA BRONCHISEPTICA, TARGET EFI-510038 (BB2442), WITH BOUND (R)-MANDELATE and (S)-MANDELATE

Released:
DOI: 10.2210/pdb4p56/pdb
PDB entry 4p56 coloured by chain, front view.
PDB entry 4p56 coloured by chain, side view.
PDB entry 4p56 coloured by chain, top view.
Source organism: Bordetella bronchiseptica RB50
Primary publication:
Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Vetting MW, Al-Obaidi N, Zhao S, San Francisco B, Kim J, Wichelecki DJ, Bouvier JT, Solbiati JO, Vu H, Zhang X, Rodionov DA, Love JD, Hillerich BS, Seidel RD, Quinn RJ, Osterman AL, Cronan JE, Jacobson MP, Gerlt JA, Almo SC
OpenAccess logo Biochemistry 54 909-31 (2015)
PMID: 25540822

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102085 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Extracellular solute-binding protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 343 amino acids
Theoretical weight: 37.61 KDa
Source organism: Bordetella bronchiseptica RB50
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H3LM73 (Residues: 24-343; Coverage: 100%)
Gene name: BB2442
Sequence domains: Bacterial extracellular solute-binding protein, family 7
Structure domains: Bacterial extracellular solute-binding protein, family 7

Ligands and Environments

3 bound ligands:
Ligand RMN 2 x RMN
Ligand PGE 2 x PGE
Ligand SMN 2 x SMN
1 modified residue:
Ligand MSE 12 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21
Unit cell:
a: 74.402Å b: 82.635Å c: 80.575Å
α: 90° β: 90.84° γ: 90°
R-values:
R R work R free
0.153 0.15 0.201
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 review citations

Enzyme Function Initiative-Enzyme Similarity Tool (EFI-EST): A web tool for generating protein sequence similarity networks.
Gerlt et al. (2015)
12 more

1 mention without citation

Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Vetting et al. (2015)