Calcium in PDB 2c4x: Structural Basis For the Promiscuous Specificity of the Carbohydrate-Binding Modules From the Beta-Sandwich Super Family

The structure of Structural Basis For the Promiscuous Specificity of the Carbohydrate-Binding Modules From the Beta-Sandwich Super Family, PDB code: 2c4x was solved by S.Najmudin, C.I.P.D.Guerreiro, A.L.Carvalho, D.N.Bolam, J.A.M.Prates, M.A.S.Correia, V.D.Alves, L.M.A.Ferreira, M.J.Romao, H.J.Gilbert, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.73 / 2.0
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.899, 86.899, 108.242, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.5

The binding sites of Calcium atom in the Structural Basis For the Promiscuous Specificity of the Carbohydrate-Binding Modules From the Beta-Sandwich Super Family (pdb code 2c4x). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structural Basis For the Promiscuous Specificity of the Carbohydrate-Binding Modules From the Beta-Sandwich Super Family, PDB code: 2c4x:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structural Basis For the Promiscuous Specificity of the Carbohydrate-Binding Modules From the Beta-Sandwich Super Family


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Basis For the Promiscuous Specificity of the Carbohydrate-Binding Modules From the Beta-Sandwich Super Family within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1252 b:36.4 occ:1.00 OD1 A:ASP35 2.4 34.7 1.0 OD2 A:ASP33 2.4 35.4 1.0 OD1 A:ASN4 2.4 37.4 1.0 O A:GLN5 2.4 35.5 1.0 O A:HOH2184 2.4 33.3 1.0 OD2 A:ASP76 2.4 34.1 1.0 OD1 A:ASP33 2.5 35.2 1.0 CG A:ASP33 2.8 35.8 1.0 CG A:ASP76 3.4 33.8 1.0 CG A:ASN4 3.4 38.9 1.0 CG A:ASP35 3.4 36.2 1.0 C A:GLN5 3.6 36.1 1.0 ND2 A:ASN4 3.7 37.9 1.0 CB A:ASP76 3.8 34.0 1.0 OD2 A:ASP35 3.9 35.6 1.0 N A:GLN5 4.2 37.6 1.0 CB A:ASP33 4.3 35.3 1.0 O A:HOH2096 4.3 41.4 1.0 OD1 A:ASP76 4.3 34.1 1.0 CA A:GLN5 4.4 36.4 1.0 N A:GLY36 4.4 36.2 1.0 NE2 A:GLN78 4.5 36.4 1.0 C A:ASP35 4.5 36.3 1.0 N A:ASP35 4.6 35.7 1.0 N A:ALA6 4.6 36.0 1.0 O A:HOH2185 4.7 41.6 1.0 CB A:ASP35 4.7 35.8 1.0 CA A:GLY36 4.7 36.2 1.0 OD1 A:ASN77 4.7 34.7 1.0 CB A:ASN4 4.8 40.2 1.0 CB A:GLN5 4.8 36.1 1.0 N A:PRO7 4.8 36.5 1.0 C A:ASN4 4.8 39.2 1.0 O A:ASP35 4.8 36.7 1.0 CA A:ASP35 4.8 36.2 1.0 CA A:ALA6 4.8 36.2 1.0 C A:ALA6 4.8 36.3 1.0 CD A:PRO7 4.8 36.2 1.0

Calcium binding site 2 out of 2 in the Structural Basis For the Promiscuous Specificity of the Carbohydrate-Binding Modules From the Beta-Sandwich Super Family


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Basis For the Promiscuous Specificity of the Carbohydrate-Binding Modules From the Beta-Sandwich Super Family within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1253 b:44.0 occ:1.00 O A:ASN101 2.4 40.4 1.0 O A:LYS130 2.4 41.5 1.0 O A:ARG133 2.4 39.8 1.0 OE2 A:GLU103 2.4 39.9 1.0 OD2 A:ASP96 2.5 39.8 1.0 OD2 A:ASP245 2.5 39.6 1.0 OD1 A:ASP245 2.6 38.0 1.0 CG A:ASP245 2.9 39.0 1.0 C A:ASN101 3.5 40.3 1.0 CG A:ASP96 3.5 39.7 1.0 CD A:GLU103 3.6 39.9 1.0 C A:ARG133 3.6 40.1 1.0 C A:LYS130 3.6 41.5 1.0 CB A:ASP96 3.8 39.5 1.0 CA A:ASN101 4.1 40.7 1.0 CG A:GLU103 4.2 40.4 1.0 N A:ARG133 4.2 40.6 1.0 N A:LYS130 4.4 41.7 1.0 CB A:ASP245 4.4 39.2 1.0 CA A:ARG133 4.4 40.4 1.0 CA A:LYS130 4.5 41.9 1.0 N A:GLY131 4.5 40.8 1.0 CB A:ASN101 4.5 40.1 1.0 CA A:GLY131 4.5 40.3 1.0 N A:GLY134 4.5 39.9 1.0 OE1 A:GLU103 4.6 39.6 1.0 N A:PHE102 4.6 40.0 1.0 OD1 A:ASP96 4.6 39.7 1.0 CB A:ALA128 4.7 42.9 1.0 CA A:GLY134 4.7 39.9 1.0 CB A:LYS130 4.7 42.2 1.0 N A:ALA246 4.8 39.4 1.0 C A:GLY131 4.8 40.3 1.0 CB A:PHE102 4.9 39.4 1.0 N A:GLU132 5.0 40.0 1.0 N A:GLU103 5.0 40.6 1.0

S.Najmudin, C.I.P.D.Guerreiro, A.L.Carvalho, J.A.M.Prates, M.A.S.Correia, V.D.Alves, L.M.A.Ferreira, M.J.Romao, H.J.Gilbert, D.N.Bolam, C.M.G.A.Fontes. Xyloglucan Is Recognized By Carbohydrate-Binding Modules That Interact with Beta-Glucan Chains. J.Biol.Chem. V. 281 8815 2006.
ISSN: ISSN 0021-9258
PubMed: 16314409
DOI: 10.1074/JBC.M510559200