Calcium in PDB 5g5d: Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum

The structure of Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum, PDB code: 5g5d was solved by A.L.Carvalho, J.L.A Bras, S.H.Najmudin, B.A.Pinheiro, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.56 / 3.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	52.360, 125.805, 130.467, 90.00, 90.00, 90.00
R / Rfree (%)	25.6 / 30.3

The binding sites of Calcium atom in the Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum (pdb code 5g5d). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum, PDB code: 5g5d:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1164 b:64.4 occ:1.00 O B:ALA141 2.1 78.7 1.0 OD1 B:ASN139 2.4 83.4 1.0 OD1 B:ASP135 2.4 77.5 1.0 OD1 B:ASN137 2.5 81.2 1.0 OD1 B:ASP146 2.7 79.0 1.0 OD2 B:ASP146 2.9 78.0 1.0 CG B:ASP146 3.2 77.7 1.0 C B:ALA141 3.3 78.9 1.0 CG B:ASN137 3.3 81.5 1.0 ND2 B:ASN137 3.4 82.2 1.0 CG B:ASN139 3.4 85.6 1.0 CG B:ASP135 3.6 77.3 1.0 N B:ALA141 3.9 82.6 1.0 ND2 B:ASN139 4.0 86.8 1.0 CA B:ALA141 4.2 81.3 1.0 N B:ILE142 4.2 77.4 1.0 OD1 B:ASN143 4.2 81.7 1.0 N B:ASN139 4.2 83.5 1.0 OD2 B:ASP135 4.3 79.2 1.0 CA B:ILE142 4.3 75.7 1.0 N B:GLY140 4.5 84.6 1.0 CB B:ASN139 4.6 87.5 1.0 CG B:ASN143 4.6 82.0 1.0 ND2 B:ASN143 4.6 84.6 1.0 CB B:ASP135 4.6 74.8 1.0 CA B:ASP135 4.6 72.6 1.0 N B:ASN143 4.6 76.5 1.0 CB B:ASP146 4.7 75.6 1.0 CA B:ASN139 4.7 86.6 1.0 N B:ARG138 4.7 79.0 1.0 CB B:ASN137 4.8 81.4 1.0 C B:ASN139 4.8 87.0 1.0 CB B:ALA141 4.8 83.2 1.0 N B:ASN137 4.8 76.4 1.0 C B:ASP135 4.9 72.9 1.0 N B:ILE136 4.9 72.2 1.0 C B:ILE142 5.0 76.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1165 b:62.3 occ:1.00 O B:VAL104 2.3 68.5 1.0 O B:SER108 2.3 68.9 1.0 OD2 B:ASP113 2.5 64.3 1.0 OD1 B:ASP106 2.7 71.5 1.0 OD1 B:ASP113 2.9 63.3 1.0 CG B:ASP113 3.1 63.5 1.0 CG B:ASP106 3.2 71.5 1.0 OD2 B:ASP106 3.3 70.8 1.0 C B:VAL104 3.5 68.1 1.0 C B:SER108 3.5 70.5 1.0 CG B:LYS102 3.6 72.5 1.0 OD1 B:ASN110 4.0 66.8 1.0 CB B:VAL104 4.0 67.6 1.0 N B:ASP106 4.0 70.9 1.0 CA B:VAL104 4.2 67.5 1.0 CA B:LYS102 4.2 70.8 1.0 N B:SER108 4.2 72.6 1.0 ND2 B:ASN110 4.3 69.0 1.0 N B:VAL104 4.3 67.5 1.0 CG B:ASN110 4.4 68.0 1.0 CA B:SER108 4.4 72.4 1.0 CB B:LYS102 4.4 71.7 1.0 N B:ILE109 4.4 70.7 1.0 CB B:ASP106 4.5 72.5 1.0 CA B:ILE109 4.5 69.7 1.0 CG1 B:VAL104 4.6 68.3 1.0 CB B:ASP113 4.6 63.5 1.0 N B:LYS105 4.6 68.6 1.0 CA B:ASP106 4.7 72.3 1.0 N B:ASN110 4.7 68.4 1.0 CB B:SER108 4.8 73.1 1.0 O B:GLY101 4.8 71.9 1.0 CA B:LYS105 4.8 69.6 1.0 C B:LYS105 4.8 70.4 1.0 CD B:LYS102 4.8 74.1 1.0 N B:ILE103 4.8 69.1 1.0 C B:LYS102 4.9 69.8 1.0

J.L.Bras, B.A.Pinheiro, K.Cameron, F.Cuskin, A.Viegas, S.Najmudin, P.Bule, V.M.Pires, M.J.Romao, E.A.Bayer, H.L.Spencer, S.Smith, H.J.Gilbert, V.D.Alves, A.L.Carvalho, C.M.Fontes. Diverse Specificity of Cellulosome Attachment to the Bacterial Cell Surface. Sci Rep V. 6 38292 2016.
ISSN: ESSN 2045-2322
PubMed: 27924829
DOI: 10.1038/SREP38292