Calcium in PDB 6ckb: Crystal Structure of An Extended BETA3 Integrin P33

The structure of Crystal Structure of An Extended BETA3 Integrin P33, PDB code: 6ckb was solved by D.Zhou, J.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.70 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.080, 80.910, 126.720, 90.00, 96.36, 90.00
R / Rfree (%)	23.9 / 29.6

The structure of Crystal Structure of An Extended BETA3 Integrin P33 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structure of An Extended BETA3 Integrin P33 (pdb code 6ckb). 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 Crystal Structure of An Extended BETA3 Integrin P33, PDB code: 6ckb:

Calcium binding site 1 out of 1 in the Crystal Structure of An Extended BETA3 Integrin P33


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of An Extended BETA3 Integrin P33 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:0.0 occ:1.00 OG B:SER121 2.2 0.1 1.0 OD1 B:ASP221 2.3 0.9 1.0 OG B:SER123 2.5 0.4 1.0 OD2 B:ASP221 2.6 0.2 1.0 CB B:SER121 2.7 0.0 1.0 CG B:ASP221 2.8 0.4 1.0 CB B:SER123 3.7 0.3 1.0 OG1 B:THR188 3.7 0.1 1.0 CG2 B:THR188 4.0 0.8 1.0 OD1 B:ASP119 4.0 0.8 1.0 OD2 B:ASP119 4.2 0.7 1.0 CA B:SER121 4.2 0.4 1.0 CB B:ASP221 4.3 0.5 1.0 N B:GLY222 4.4 0.9 1.0 N B:SER123 4.4 0.1 1.0 CG B:ASP119 4.4 0.9 1.0 CB B:THR188 4.5 0.2 1.0 CA B:GLY222 4.5 0.8 1.0 C B:SER121 4.6 0.7 1.0 C B:ASP221 4.7 0.4 1.0 CA B:SER123 4.7 0.8 1.0 N B:SER121 4.8 98.5 1.0 N B:MET122 4.9 82.6 1.0 CA B:ASP221 5.0 97.2 1.0

D.Zhou, A.M.M.Thinn, Y.Zhao, Z.Wang, J.Zhu. Structure of An Extended BETA3INTEGRIN. Blood V. 132 962 2018.
ISSN: ESSN 1528-0020
PubMed: 30018079
DOI: 10.1182/BLOOD-2018-01-829572