› 1b6h

X-ray diffraction
1.8Å resolution

OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NORVALYL-LYSINE

Released:
DOI: 10.2210/pdb1b6h/pdb
PDB entry 1b6h coloured by chain, front view.
PDB entry 1b6h coloured by chain, side view.
PDB entry 1b6h coloured by chain, top view.
Source organisms:
Primary publication:
Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Davies TG, Hubbard RE, Tame JR
Protein Sci 8 1432-44 (1999)
PMID: 10422831

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138916 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Periplasmic oligopeptide-binding protein OppA Chain: A
Molecule details ›
Chain: A
Length: 517 amino acids
Theoretical weight: 58.88 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Expression system: Escherichia coli
UniProt:
  • Canonical: P06202 (Residues: 27-543; Coverage: 100%)
Gene names: STM1746, oppA
Sequence domains: Bacterial extracellular solute-binding proteins, family 5 Middle
Structure domains:
LYS-NVA-LYS PEPTIDE Chain: B
Molecule details ›
Chain: B
Length: 3 amino acids
Theoretical weight: 376 Da
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand U1 8 x U1
1 modified residue:
Ligand NVA 1 x NVA

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 109.68Å b: 75.77Å c: 70.25Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.18 0.22
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

6 review citations

A medicinal chemist's guide to molecular interactions.
Bissantz et al. (2010)
5 more

3 mentions without citation

Assessment of programs for ligand binding affinity prediction.
Kim et al. (2008)
2 more