Calcium in PDB 3b0k: Crystal Structure of Alpha-Lactalbumin

The structure of Crystal Structure of Alpha-Lactalbumin, PDB code: 3b0k was solved by K.Makabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.631, 88.210, 43.921, 90.00, 96.94, 90.00
R / Rfree (%)	18 / 23.5

The binding sites of Calcium atom in the Crystal Structure of Alpha-Lactalbumin (pdb code 3b0k). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Alpha-Lactalbumin, PDB code: 3b0k:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Alpha-Lactalbumin


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 Alpha-Lactalbumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:19.1 occ:1.00 O A:ASP84 2.3 19.6 1.0 OD1 A:ASP82 2.3 19.9 1.0 O A:LYS79 2.3 17.4 1.0 OD1 A:ASP87 2.4 17.8 1.0 OD1 A:ASP88 2.4 15.6 1.0 O A:HOH326 2.4 18.6 1.0 O A:HOH343 2.5 19.8 1.0 CG A:ASP82 3.3 20.7 1.0 CG A:ASP87 3.4 17.4 1.0 C A:ASP84 3.5 17.3 1.0 C A:LYS79 3.6 15.6 1.0 CG A:ASP88 3.6 14.7 1.0 OD2 A:ASP87 3.8 18.4 1.0 OD2 A:ASP82 3.8 23.9 1.0 CA A:PHE80 4.0 14.9 1.0 OD2 A:ASP88 4.1 16.4 1.0 O A:HOH335 4.1 19.6 1.0 N A:PHE80 4.3 14.9 1.0 N A:ASP84 4.3 19.7 1.0 CA A:LEU85 4.4 16.6 1.0 CA A:ASP84 4.4 18.9 1.0 N A:ASP88 4.4 15.6 1.0 N A:LEU85 4.4 17.6 1.0 N A:ASP82 4.5 17.5 1.0 CB A:ASP84 4.5 20.3 1.0 O A:ASP82 4.5 18.4 1.0 C A:PHE80 4.6 16.4 1.0 CB A:ASP82 4.7 19.8 1.0 CA A:LYS79 4.7 16.2 1.0 C A:ASP82 4.7 19.9 1.0 CD1 A:PHE80 4.7 16.5 1.0 CB A:ASP88 4.8 15.0 1.0 N A:ASP87 4.8 16.5 1.0 CB A:ASP87 4.8 15.7 1.0 CA A:ASP82 4.8 18.2 1.0 C A:LEU85 4.9 16.3 1.0 N A:LEU81 4.9 16.0 1.0 CB A:LYS79 5.0 19.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Alpha-Lactalbumin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Alpha-Lactalbumin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:21.8 occ:1.00 O B:LYS79 2.3 19.9 1.0 OD1 B:ASP82 2.3 21.3 1.0 O B:ASP84 2.3 21.4 1.0 OD1 B:ASP88 2.3 18.1 1.0 OD1 B:ASP87 2.4 18.9 1.0 O B:HOH318 2.4 19.9 1.0 O B:HOH320 2.5 20.8 1.0 CG B:ASP82 3.4 24.5 1.0 C B:LYS79 3.5 19.9 1.0 CG B:ASP87 3.5 20.8 1.0 C B:ASP84 3.5 21.9 1.0 CG B:ASP88 3.5 17.7 1.0 OD2 B:ASP82 3.8 24.7 1.0 OD2 B:ASP87 3.9 20.2 1.0 O B:HOH325 4.0 23.2 1.0 CA B:PHE80 4.1 18.6 1.0 OD2 B:ASP88 4.1 20.4 1.0 N B:PHE80 4.2 19.4 1.0 N B:ASP84 4.4 24.1 1.0 N B:LEU85 4.4 18.8 1.0 N B:ASP88 4.4 17.5 1.0 CA B:LEU85 4.4 18.1 1.0 CA B:ASP84 4.4 23.0 1.0 O B:ASP82 4.5 24.2 1.0 C B:PHE80 4.5 20.7 1.0 N B:ASP82 4.5 21.3 1.0 CB B:ASP84 4.6 24.1 1.0 CA B:LYS79 4.6 19.7 1.0 CB B:ASP82 4.7 24.4 1.0 C B:ASP82 4.7 23.0 1.0 CD1 B:PHE80 4.7 19.3 1.0 CB B:ASP88 4.8 18.4 1.0 N B:ASP87 4.8 18.9 1.0 CB B:ASP87 4.8 19.6 1.0 CA B:ASP82 4.8 23.6 1.0 C B:LEU85 4.8 18.1 1.0 N B:LEU81 4.9 22.0 1.0 CB B:LYS79 5.0 18.8 1.0

K.Makabe, T.Nakamura, K.Kuwajima. Structural Insights Into the Stability Perturbations Induced By N-Terminal Variation in Human and Goat Alpha-Lactalbumin Protein Eng.Des.Sel. V. 26 165 2013.
ISSN: ISSN 1741-0126
PubMed: 23155056
DOI: 10.1093/PROTEIN/GZS093