Calcium in PDB 4v2x: High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans

The structure of High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans, PDB code: 4v2x was solved by I.Venditto, H.Santos, L.M.A.Ferreira, K.Sakka, C.M.G.A.Fontes, S.Najmudin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.27 / 1.64
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.220, 141.840, 50.820, 90.00, 90.00, 90.00
R / Rfree (%)	15.43 / 18.094

The structure of High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Calcium atom in the High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans (pdb code 4v2x). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans, PDB code: 4v2x:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1565 b:16.3 occ:0.50 OD1 A:ASP193 2.3 14.5 1.0 OD1 A:ASP194 2.4 15.2 1.0 O A:HOH2171 2.4 14.3 1.0 CG A:ASP193 3.5 14.8 1.0 CG A:ASP194 3.6 15.8 1.0 NZ A:LYS238 4.2 16.0 1.0 CB A:ASP193 4.2 13.4 1.0 N A:ASP194 4.3 13.2 1.0 OD2 A:ASP194 4.3 15.1 1.0 OD2 A:ASP193 4.4 16.9 1.0 CA A:ASP194 4.5 14.2 1.0 O A:ALA190 4.5 13.8 1.0 O A:HOH2064 4.6 24.9 1.0 C A:ASP193 4.6 13.1 1.0 CB A:ASP194 4.6 14.2 1.0 O A:ASP193 4.9 13.5 1.0

Calcium binding site 2 out of 2 in the High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1566 b:18.2 occ:1.00 O A:HOH2399 2.3 15.4 1.0 O A:PHE444 2.4 14.0 1.0 O A:HOH2400 2.4 17.2 1.0 O A:HOH2367 2.5 25.4 1.0 O A:HOH2406 2.5 19.7 1.0 O A:HOH2498 2.6 26.8 1.0 O A:HOH2398 2.6 13.1 1.0 O A:HOH2499 2.6 36.0 1.0 C A:PHE444 3.6 13.5 1.0 N A:PHE444 4.0 13.3 1.0 OD1 A:ASP449 4.2 14.4 1.0 O A:GLY447 4.2 12.9 1.0 CA A:PHE444 4.4 13.4 1.0 C A:ASN445 4.5 14.2 1.0 N A:ASN445 4.6 14.5 1.0 O A:ASN445 4.6 14.3 1.0 CA A:ASN445 4.6 14.2 1.0 N A:ARG446 4.9 13.2 1.0 OG1 A:THR396 4.9 19.6 1.0 C A:GLU443 4.9 13.4 1.0 CB A:GLU443 5.0 15.3 1.0

I.Venditto, S.Najmudin, A.S.Luis, L.M.A.Ferreira, K.Sakka, H.J.Gilbert, C.M.G.A.Fontes. Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms To Be Published.