Calcium in PDB 1a4v: Alpha-Lactalbumin

All present enzymatic activity of Alpha-Lactalbumin:
2.4.1.22;

The structure of Alpha-Lactalbumin, PDB code: 1a4v was solved by N.Chandra, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	35.470, 69.560, 45.960, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26.3

The binding sites of Calcium atom in the Alpha-Lactalbumin (pdb code 1a4v). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Alpha-Lactalbumin, PDB code: 1a4v:
Jump to Calcium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Alpha-Lactalbumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca124 b:7.5 occ:1.00 O A:ASP84 2.2 5.3 1.0 O A:LYS79 2.3 7.1 1.0 OD1 A:ASP82 2.5 4.1 1.0 OD1 A:ASP87 2.5 7.6 1.0 O A:HOH150 2.5 3.6 1.0 OD1 A:ASP88 2.5 5.8 1.0 O A:HOH134 2.6 4.3 1.0 C A:ASP84 3.4 6.1 1.0 CG A:ASP82 3.4 9.8 1.0 CG A:ASP87 3.4 6.6 1.0 C A:LYS79 3.5 5.7 1.0 CG A:ASP88 3.6 3.1 1.0 OD2 A:ASP87 3.7 10.1 1.0 OD2 A:ASP82 3.7 10.7 1.0 OD2 A:ASP88 4.1 6.1 1.0 CA A:PHE80 4.1 4.5 1.0 N A:ILE85 4.2 5.3 1.0 CA A:ILE85 4.3 3.4 1.0 N A:PHE80 4.3 4.0 1.0 CA A:ASP84 4.3 5.8 1.0 N A:ASP84 4.5 6.2 1.0 O A:ASP82 4.5 8.2 1.0 CB A:ASP84 4.5 4.8 1.0 CA A:LYS79 4.5 5.2 1.0 N A:ASP88 4.5 4.5 1.0 C A:PHE80 4.6 5.1 1.0 N A:ASP82 4.7 7.6 1.0 CB A:ASP82 4.8 7.0 1.0 CD1 A:PHE80 4.8 4.3 1.0 O A:HOH151 4.8 27.6 1.0 CB A:LYS79 4.8 7.5 1.0 C A:ILE85 4.8 3.9 1.0 C A:ASP82 4.8 8.6 1.0 CB A:ASP87 4.8 6.7 1.0 N A:ASP87 4.9 3.3 1.0 CB A:ASP88 4.9 3.6 1.0 N A:THR86 5.0 4.6 1.0 CA A:ASP82 5.0 6.2 1.0 N A:LEU81 5.0 5.8 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Alpha-Lactalbumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca125 b:35.1 occ:1.00 OG1 A:THR38 2.7 12.0 1.0 O A:LEU81 2.8 10.6 1.0 OD1 A:ASP83 2.8 19.9 1.0 OE1 A:GLN39 3.1 31.9 1.0 CG A:GLN39 3.3 19.0 1.0 C A:ASP82 3.4 8.6 1.0 O A:ASP82 3.5 8.2 1.0 CD A:GLN39 3.6 26.6 1.0 N A:ASP83 3.7 8.2 1.0 C A:LEU81 3.8 7.3 1.0 CA A:ASP82 3.8 6.2 1.0 CB A:THR38 3.9 6.9 1.0 O A:HOH227 3.9 40.4 1.0 CG A:ASP83 4.0 19.3 1.0 CA A:ASP83 4.1 9.6 1.0 N A:LYS1 4.1 17.7 1.0 N A:ASP82 4.2 7.6 1.0 C A:THR38 4.5 8.1 1.0 O A:THR38 4.6 8.1 1.0 CB A:LYS1 4.6 16.8 1.0 CB A:GLN39 4.6 11.9 1.0 N A:GLN39 4.7 8.5 1.0 CB A:ASP83 4.7 13.5 1.0 O A:HOH197 4.8 35.1 1.0 CA A:THR38 4.8 8.0 1.0 CG2 A:THR38 4.8 5.5 1.0 NE2 A:GLN39 4.9 24.0 1.0 CA A:LYS1 5.0 16.2 1.0 CA A:GLN39 5.0 9.6 1.0

N.Chandra, K.Brew, K.R.Acharya. Structural Evidence For the Presence of A Secondary Calcium Binding Site in Human Alpha-Lactalbumin. Biochemistry V. 37 4767 1998.
ISSN: ISSN 0006-2960
PubMed: 9537992
DOI: 10.1021/BI973000T