Calcium in PDB 1hfz: Alpha-Lactalbumin

All present enzymatic activity of Alpha-Lactalbumin:
2.4.1.22;

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

Resolution Low / High (Å)	8.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.620, 60.130, 77.180, 90.00, 96.85, 90.00
R / Rfree (%)	20.8 / 30.3

The binding sites of Calcium atom in the Alpha-Lactalbumin (pdb code 1hfz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Alpha-Lactalbumin, PDB code: 1hfz:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 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:35.2 occ:1.00 O A:LYS79 2.2 39.6 1.0 O A:ASP84 2.2 32.7 1.0 OD1 A:ASP82 2.4 35.4 1.0 OD1 A:ASP87 2.5 30.8 1.0 OD1 A:ASP88 2.6 33.1 1.0 O A:HOH149 2.8 31.7 1.0 CG A:ASP82 3.3 39.2 1.0 C A:LYS79 3.4 37.3 1.0 C A:ASP84 3.5 32.3 1.0 CG A:ASP87 3.5 27.0 1.0 OD2 A:ASP82 3.5 36.2 1.0 CG A:ASP88 3.7 24.3 1.0 OD2 A:ASP87 3.8 28.6 1.0 CA A:PHE80 3.9 31.9 1.0 N A:PHE80 4.1 38.2 1.0 OD2 A:ASP88 4.2 25.1 1.0 CA A:ASP84 4.4 32.3 1.0 N A:LEU85 4.4 33.0 1.0 C A:PHE80 4.4 28.4 1.0 CA A:LEU85 4.5 32.1 1.0 N A:ASP84 4.5 35.6 1.0 CA A:LYS79 4.5 31.5 1.0 CB A:ASP84 4.5 33.6 1.0 N A:ASP88 4.6 28.0 1.0 O A:ASP82 4.6 47.7 1.0 N A:ASP82 4.6 37.5 1.0 CD1 A:PHE80 4.6 23.6 1.0 CB A:ASP82 4.6 30.9 1.0 N A:ASP87 4.8 28.7 1.0 C A:ASP82 4.8 43.7 1.0 CB A:ASP87 4.9 27.7 1.0 CB A:LYS79 4.9 34.0 1.0 CA A:ASP82 4.9 39.9 1.0 O A:PHE80 4.9 29.9 1.0 N A:LEU81 4.9 28.7 1.0 CB A:ASP88 4.9 19.2 1.0 C A:LEU85 5.0 32.6 1.0

Calcium binding site 2 out of 4 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 B:Ca124 b:43.4 occ:1.00 O B:LYS79 2.1 43.1 1.0 O B:HOH140 2.2 27.9 1.0 O B:ASP84 2.3 52.5 1.0 OD1 B:ASP82 2.3 47.0 1.0 O B:HOH139 2.4 35.3 1.0 OD1 B:ASP87 2.7 35.4 1.0 OD1 B:ASP88 2.7 30.0 1.0 CG B:ASP82 3.2 50.2 1.0 C B:LYS79 3.3 38.4 1.0 OD2 B:ASP82 3.4 50.6 1.0 C B:ASP84 3.4 44.7 1.0 CG B:ASP87 3.7 39.9 1.0 CG B:ASP88 3.8 25.4 1.0 OD2 B:ASP87 4.1 47.6 1.0 O B:ASP82 4.2 59.6 1.0 OD2 B:ASP88 4.2 29.5 1.0 N B:PHE80 4.2 35.5 1.0 CA B:PHE80 4.2 28.1 1.0 N B:LEU85 4.3 42.7 1.0 CA B:LYS79 4.3 33.5 1.0 CA B:ASP84 4.4 42.5 1.0 CA B:LEU85 4.4 37.2 1.0 CB B:ASP84 4.4 40.6 1.0 N B:ASP82 4.5 41.2 1.0 CB B:ASP82 4.5 45.6 1.0 N B:ASP84 4.6 46.8 1.0 N B:ASP88 4.7 34.4 1.0 C B:ASP82 4.7 52.9 1.0 CB B:LYS79 4.7 36.7 1.0 C B:PHE80 4.8 29.4 1.0 CA B:ASP82 4.8 47.5 1.0 CD1 B:PHE80 4.8 23.0 1.0 N B:LEU81 4.8 33.1 1.0 CG B:ASP84 4.9 45.2 1.0 N B:ASP87 4.9 35.0 1.0 CB B:ASP88 5.0 21.6 1.0 N B:THR86 5.0 41.4 1.0 C B:LEU85 5.0 38.0 1.0

Calcium binding site 3 out of 4 in the Alpha-Lactalbumin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Alpha-Lactalbumin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca124 b:63.1 occ:1.00 O C:ASP84 2.3 62.8 1.0 O C:LYS79 2.4 59.6 1.0 OD1 C:ASP82 2.4 65.9 1.0 OD1 C:ASP88 2.7 46.4 1.0 OD1 C:ASP87 2.7 55.1 1.0 CG C:ASP82 3.0 68.8 1.0 OD2 C:ASP82 3.1 78.8 1.0 O C:ASP82 3.3 68.4 1.0 C C:ASP84 3.4 62.5 1.0 CG C:ASP87 3.5 53.5 1.0 C C:LYS79 3.6 61.5 1.0 OD2 C:ASP87 3.6 58.4 1.0 CG C:ASP88 3.8 46.7 1.0 C C:ASP82 4.1 68.4 1.0 N C:ASP84 4.1 63.4 1.0 N C:ASP82 4.2 67.6 1.0 CA C:PHE80 4.2 52.4 1.0 CB C:ASP82 4.2 67.9 1.0 CA C:ASP84 4.2 63.0 1.0 N C:LEU85 4.2 59.0 1.0 OD2 C:ASP88 4.3 43.8 1.0 CA C:LEU85 4.3 57.7 1.0 N C:PHE80 4.3 59.0 1.0 CA C:ASP82 4.3 67.8 1.0 C C:PHE80 4.5 55.9 1.0 CB C:ASP84 4.5 66.8 1.0 CA C:LYS79 4.7 62.9 1.0 N C:ASP88 4.7 51.3 1.0 C C:LEU85 4.8 55.7 1.0 O C:PHE80 4.8 56.1 1.0 CB C:ASP87 4.9 54.1 1.0 N C:LEU81 4.9 59.6 1.0 N C:ASP87 4.9 59.6 1.0

Calcium binding site 4 out of 4 in the Alpha-Lactalbumin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Alpha-Lactalbumin within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca124 b:56.1 occ:1.00 O D:ASP84 2.2 62.6 1.0 OD1 D:ASP87 2.3 61.7 1.0 OD1 D:ASP82 2.5 71.4 1.0 O D:LYS79 2.6 62.3 1.0 O D:ASP82 2.7 70.2 1.0 OD1 D:ASP88 2.7 53.8 1.0 CG D:ASP82 3.0 69.1 1.0 OD2 D:ASP82 3.1 71.8 1.0 CG D:ASP87 3.2 62.5 1.0 C D:ASP84 3.3 64.2 1.0 OD2 D:ASP87 3.4 63.7 1.0 C D:ASP82 3.7 67.0 1.0 C D:LYS79 3.7 62.5 1.0 CG D:ASP88 3.9 54.2 1.0 N D:ASP82 4.0 61.2 1.0 CB D:ASP82 4.1 69.3 1.0 CA D:ASP82 4.1 65.1 1.0 N D:LEU85 4.2 59.3 1.0 N D:ASP84 4.2 69.2 1.0 CA D:ASP84 4.2 68.1 1.0 CA D:LEU85 4.2 55.4 1.0 CA D:PHE80 4.4 56.0 1.0 OD2 D:ASP88 4.5 52.0 1.0 N D:PHE80 4.5 58.8 1.0 CB D:ASP84 4.5 70.5 1.0 C D:PHE80 4.6 57.2 1.0 C D:LEU85 4.7 57.6 1.0 CB D:ASP87 4.7 61.0 1.0 N D:LEU81 4.7 57.7 1.0 C D:ASP83 4.8 71.3 1.0 CA D:LYS79 4.8 64.2 1.0 N D:ASP88 4.8 58.4 1.0 N D:ASP87 4.8 58.5 1.0 N D:ASP83 4.9 70.1 1.0 N D:THR86 4.9 55.6 1.0 OD2 D:ASP84 5.0 76.7 1.0

A.C.Pike, K.Brew, K.R.Acharya. Crystal Structures of Guinea-Pig, Goat and Bovine Alpha-Lactalbumin Highlight the Enhanced Conformational Flexibility of Regions That Are Significant For Its Action in Lactose Synthase. Structure V. 4 691 1996.
ISSN: ISSN 0969-2126
PubMed: 8805552
DOI: 10.1016/S0969-2126(96)00075-5