Calcium in PDB 3b0o: Crystal Structure of Alpha-Lactalbumin

The structure of Crystal Structure of Alpha-Lactalbumin, PDB code: 3b0o was solved by K.Makabe, K.Kuwajima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.61
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.917, 68.161, 46.212, 90.00, 92.22, 90.00
R / Rfree (%)	15.3 / 19.3

The binding sites of Calcium atom in the Crystal Structure of Alpha-Lactalbumin (pdb code 3b0o). 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: 3b0o:
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:Ca124 b:13.4 occ:1.00 O A:ASP84 2.2 15.0 1.0 O A:LYS79 2.3 13.0 1.0 OD1 A:ASP88 2.3 12.9 1.0 OD2 A:ASP87 2.3 17.4 1.0 OD1 A:ASP82 2.4 12.6 1.0 O A:HOH128 2.5 13.9 1.0 OD1 A:ASP87 2.7 18.2 1.0 CG A:ASP87 2.8 10.7 1.0 CG A:ASP82 3.4 17.2 1.0 C A:ASP84 3.4 13.9 1.0 CG A:ASP88 3.5 13.6 1.0 C A:LYS79 3.5 12.0 1.0 OD2 A:ASP82 3.8 18.3 1.0 OD2 A:ASP88 4.0 14.4 1.0 CA A:PHE80 4.1 12.5 1.0 N A:PHE80 4.2 12.5 1.0 CA A:ILE85 4.3 11.2 1.0 N A:ASP84 4.3 12.0 1.0 N A:ILE85 4.3 13.8 1.0 CA A:ASP84 4.3 13.3 1.0 CB A:ASP87 4.3 13.5 1.0 N A:ASP88 4.4 12.4 1.0 N A:ASP82 4.5 15.7 1.0 CA A:LYS79 4.5 12.0 1.0 O A:ASP82 4.5 14.2 1.0 CB A:ASP84 4.5 11.6 1.0 CB A:ASP82 4.6 17.4 1.0 C A:PHE80 4.6 12.3 1.0 N A:ASP87 4.7 12.4 1.0 CB A:LYS79 4.7 12.4 1.0 CB A:ASP88 4.7 12.8 1.0 O A:HOH147 4.7 16.9 1.0 C A:ASP82 4.7 14.6 1.0 C A:ILE85 4.7 11.0 1.0 CA A:ASP82 4.8 15.6 1.0 CD1 A:PHE80 4.8 14.5 1.0 N A:LEU81 4.9 12.5 1.0 NZ A:LYS79 4.9 17.9 1.0 CA A:ASP87 4.9 12.8 1.0 CE A:LYS79 4.9 17.6 1.0 N A:THR86 5.0 11.6 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:Ca124 b:14.0 occ:1.00 O B:ASP84 2.3 13.4 1.0 O B:LYS79 2.3 14.7 1.0 OD1 B:ASP87 2.4 14.1 1.0 OD1 B:ASP88 2.4 14.2 1.0 OD1 B:ASP82 2.4 14.8 1.0 O B:HOH133 2.5 15.5 1.0 O B:HOH132 2.5 14.9 1.0 CG B:ASP82 3.4 15.5 1.0 CG B:ASP87 3.4 15.5 1.0 C B:ASP84 3.5 13.8 1.0 C B:LYS79 3.5 15.2 1.0 CG B:ASP88 3.6 13.8 1.0 OD2 B:ASP82 3.7 15.7 1.0 OD2 B:ASP87 3.8 16.3 1.0 O B:HOH144 4.1 21.4 1.0 OD2 B:ASP88 4.1 16.1 1.0 CA B:PHE80 4.2 12.8 1.0 CA B:ILE85 4.3 12.6 1.0 N B:PHE80 4.3 14.2 1.0 N B:ILE85 4.3 13.1 1.0 N B:ASP84 4.4 13.8 1.0 CA B:ASP84 4.4 13.2 1.0 N B:ASP88 4.4 12.5 1.0 CB B:ASP84 4.4 12.5 1.0 CA B:LYS79 4.5 13.9 1.0 O B:ASP82 4.6 14.7 1.0 N B:ASP82 4.6 14.8 1.0 CB B:ASP82 4.7 13.6 1.0 N B:ASP87 4.7 14.2 1.0 C B:PHE80 4.7 14.2 1.0 CB B:LYS79 4.8 13.6 1.0 C B:ILE85 4.8 13.6 1.0 CB B:ASP87 4.8 13.5 1.0 C B:ASP82 4.8 16.0 1.0 CB B:ASP88 4.8 14.9 1.0 CD1 B:PHE80 4.8 15.4 1.0 CA B:ASP82 4.9 14.7 1.0 N B:THR86 4.9 13.7 1.0 N B:LEU81 5.0 13.6 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