Calcium in PDB 1mho: The 2.0 A Structure of Holo S100B From Bovine Brain

The structure of The 2.0 A Structure of Holo S100B From Bovine Brain, PDB code: 1mho was solved by H.Matsumura, T.Shiba, T.Inoue, S.Harada, K.A.I.Yasushi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	36.160, 89.660, 58.350, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 28.6

The binding sites of Calcium atom in the The 2.0 A Structure of Holo S100B From Bovine Brain (pdb code 1mho). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The 2.0 A Structure of Holo S100B From Bovine Brain, PDB code: 1mho:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The 2.0 A Structure of Holo S100B From Bovine Brain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The 2.0 A Structure of Holo S100B From Bovine Brain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca90 b:27.5 occ:1.00 O A:ASP23 2.3 36.8 1.0 O A:SER18 2.3 30.2 1.0 OE1 A:GLU31 2.3 23.5 1.0 O A:HOH114 2.4 28.3 1.0 O A:LYS26 2.4 26.0 1.0 OE2 A:GLU31 2.5 20.5 1.0 O A:GLU21 2.6 34.3 1.0 CD A:GLU31 2.8 22.0 1.0 C A:SER18 3.3 29.2 1.0 C A:ASP23 3.5 35.8 1.0 C A:LYS26 3.6 26.3 1.0 C A:GLU21 3.8 39.6 1.0 CA A:SER18 3.9 28.6 1.0 N A:GLU21 4.1 37.8 1.0 N A:ASP23 4.3 35.6 1.0 CG A:GLU31 4.3 22.4 1.0 N A:LYS24 4.4 36.3 1.0 CA A:ASP23 4.4 35.5 1.0 OE1 A:GLU67 4.4 35.5 1.0 C A:GLY22 4.4 35.1 1.0 N A:LYS26 4.4 26.2 1.0 N A:GLY19 4.5 29.4 1.0 N A:LEU27 4.5 21.8 1.0 N A:LYS28 4.5 23.3 1.0 CA A:GLU21 4.5 40.3 1.0 CA A:LEU27 4.5 23.4 1.0 CA A:LYS24 4.5 37.3 1.0 CB A:SER18 4.6 28.0 1.0 CA A:LYS26 4.6 26.9 1.0 O A:TYR17 4.6 25.5 1.0 O A:GLY22 4.7 33.9 1.0 N A:ARG20 4.7 34.6 1.0 CB A:ASP23 4.7 36.5 1.0 CG A:LYS28 4.7 34.7 1.0 CA A:GLY19 4.8 34.1 1.0 N A:GLY22 4.8 37.8 1.0 C A:LYS24 4.8 35.1 1.0 C A:LEU27 4.9 23.0 1.0 C A:GLY19 5.0 35.0 1.0 NZ A:LYS28 5.0 44.5 1.0

Calcium binding site 2 out of 2 in the The 2.0 A Structure of Holo S100B From Bovine Brain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The 2.0 A Structure of Holo S100B From Bovine Brain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca91 b:25.6 occ:1.00 OD1 A:ASP61 2.0 30.4 1.0 O A:HOH115 2.2 32.1 1.0 O A:GLU67 2.3 21.9 1.0 OD1 A:ASP63 2.3 45.0 1.0 OE1 A:GLU72 2.4 24.3 1.0 OD1 A:ASP65 2.6 29.8 1.0 OE2 A:GLU72 2.6 22.2 1.0 CD A:GLU72 2.8 24.8 1.0 CG A:ASP61 3.1 31.9 1.0 CG A:ASP63 3.3 44.1 1.0 CG A:ASP65 3.4 33.3 1.0 C A:GLU67 3.5 27.2 1.0 OD2 A:ASP63 3.7 44.5 1.0 OD2 A:ASP65 3.8 33.7 1.0 OD2 A:ASP61 4.0 33.3 1.0 N A:GLU67 4.1 32.5 1.0 CB A:ASP61 4.1 30.5 1.0 CA A:ASP61 4.2 32.0 1.0 N A:ASP63 4.2 39.8 1.0 N A:ASP65 4.2 39.8 1.0 CG A:GLU72 4.3 23.1 1.0 CA A:GLU67 4.4 29.5 1.0 N A:CYS68 4.4 23.1 1.0 N A:ASP69 4.4 24.4 1.0 CA A:CYS68 4.5 24.6 1.0 N A:SER62 4.5 37.7 1.0 N A:GLY64 4.5 43.4 1.0 CB A:ASP65 4.5 35.9 1.0 OD2 A:ASP69 4.5 32.9 1.0 CB A:ASP63 4.6 42.9 1.0 C A:ASP61 4.6 36.1 1.0 CA A:ASP63 4.7 43.2 1.0 C A:ASP63 4.7 43.4 1.0 CA A:ASP65 4.8 35.8 1.0 N A:GLY66 4.8 35.5 1.0 CG A:ASP69 4.8 29.9 1.0 C A:CYS68 4.9 22.1 1.0 C A:ASP65 4.9 34.1 1.0 CB A:GLU67 5.0 31.5 1.0

H.Matsumura, T.Shiba, T.Inoue, S.Harada, Y.Kai. A Novel Mode of Target Recognition Suggested By the 2.0 A Structure of Holo S100B From Bovine Brain. Structure V. 6 233 1998.
ISSN: ISSN 0969-2126
PubMed: 9519413
DOI: 10.1016/S0969-2126(98)00024-0