› 4kii

X-ray diffraction
1.85Å resolution

Beta-lactoglobulin in complex with Cp*Rh(III)Cl N,N-di(pyridin-2-yl)dodecanamide

Released:
DOI: 10.2210/pdb4kii/pdb
PDB entry 4kii coloured by chain, front view.
PDB entry 4kii coloured by chain, side view.
PDB entry 4kii coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Structural Basis for Enantioselectivity in the Transfer Hydrogenation of a Ketone Catalyzed by an Artificial Metalloenzyme
Cherrier MV, Amara P, Engilberge S, Chevalley A, Salmain M, Fontecilla-Camps JC
Eur. J. inorg. Chem. 21 3596-3600 (2013)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136153 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactoglobulin Chain: A
Molecule details ›
Chain: A
Length: 162 amino acids
Theoretical weight: 18.39 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P02754 (Residues: 17-178; Coverage: 100%)
Gene name: LGB
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

1 bound ligand:
Ligand RHL 1 x RHL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P3221
Unit cell:
a: 52.95Å b: 52.95Å c: 110.68Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.191 0.187 0.22

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