Calcium in PDB 6nkq: The Structure of Bovine Beta-Lactoglobulin in Novel Crystals Grown at pH 3.8

The structure of The Structure of Bovine Beta-Lactoglobulin in Novel Crystals Grown at pH 3.8, PDB code: 6nkq was solved by A.Mcpherson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.06 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.888, 114.121, 140.506, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 26.1

The binding sites of Calcium atom in the The Structure of Bovine Beta-Lactoglobulin in Novel Crystals Grown at pH 3.8 (pdb code 6nkq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the The Structure of Bovine Beta-Lactoglobulin in Novel Crystals Grown at pH 3.8, PDB code: 6nkq:

Calcium binding site 1 out of 1 in the The Structure of Bovine Beta-Lactoglobulin in Novel Crystals Grown at pH 3.8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of Bovine Beta-Lactoglobulin in Novel Crystals Grown at pH 3.8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:0.2 occ:0.49 OE1 B:GLU51 3.3 0.2 1.0 OD2 B:ASP53 3.5 0.9 1.0 CG2 B:THR49 3.6 0.6 1.0 OG1 B:THR49 3.7 0.3 1.0 CD B:GLU51 3.7 0.8 1.0 CB B:GLU51 3.8 1.0 1.0 CB B:THR49 4.1 0.5 1.0 OE2 B:GLU51 4.3 0.9 1.0 CG B:GLU51 4.3 0.5 1.0 CG B:ASP53 4.5 0.4 1.0 CB B:ASP53 4.7 0.3 1.0

T.O.Yeates, A.Mcpherson. The Structure of Bovine Beta-Lactoglobulin in Crystals Grown at pH 3.8 Exhibiting Novel Threefold Twinning. Acta Crystallogr.,Sect.F V. 75 640 2019.
ISSN: ESSN 2053-230X
PubMed: 31584012
DOI: 10.1107/S2053230X1901224X