Calcium in PDB 5k39: The Type II Cohesin Dockerin Complex From Clostridium Thermocellum

The structure of The Type II Cohesin Dockerin Complex From Clostridium Thermocellum, PDB code: 5k39 was solved by A.Viegas, B.Pinheiro, J.L.A.Bras, M.J.Romao, V.Alves, A.L.Carvalho, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.83 / 1.98
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.670, 78.630, 35.800, 90.00, 95.87, 90.00
R / Rfree (%)	18.7 / 24.7

The binding sites of Calcium atom in the The Type II Cohesin Dockerin Complex From Clostridium Thermocellum (pdb code 5k39). 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 Type II Cohesin Dockerin Complex From Clostridium Thermocellum, PDB code: 5k39:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Type II Cohesin Dockerin 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 The Type II Cohesin Dockerin Complex From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:17.0 occ:1.00 O B:ALA111 2.3 16.8 1.0 O B:HOH358 2.3 17.4 1.0 OD1 B:ASP109 2.3 19.9 1.0 OD1 B:ASP101 2.4 16.6 1.0 OD1 B:ASP116 2.5 14.1 1.0 O B:HOH363 2.5 22.9 1.0 OD2 B:ASP116 2.6 17.2 1.0 CG B:ASP116 2.9 15.4 1.0 CG B:ASP109 3.4 18.2 1.0 C B:ALA111 3.5 16.9 1.0 CG B:ASP101 3.6 15.0 1.0 OD2 B:ASP109 3.8 18.9 1.0 CA B:ASP101 4.1 14.7 1.0 N B:ALA111 4.1 17.4 1.0 N B:VAL102 4.3 15.9 1.0 CA B:ALA111 4.3 16.9 1.0 CB B:ASP101 4.3 14.0 1.0 C B:ASP101 4.4 14.9 1.0 CB B:ASP116 4.4 13.9 1.0 N B:ASP109 4.4 18.3 1.0 N B:ILE112 4.4 16.8 1.0 OD2 B:ASP101 4.5 15.2 1.0 CA B:ILE112 4.5 16.3 1.0 CB B:ASP109 4.6 18.0 1.0 O B:VAL102 4.6 17.2 1.0 CB B:ALA111 4.7 16.8 1.0 N B:ASN113 4.8 16.7 1.0 O B:GLY100 4.8 14.3 1.0 CA B:ASP109 4.8 18.2 1.0 N B:ASP116 5.0 13.9 1.0 N B:ASN110 5.0 18.0 1.0 C B:ASP109 5.0 17.9 1.0

Calcium binding site 2 out of 2 in the The Type II Cohesin Dockerin 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 The Type II Cohesin Dockerin Complex From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:14.6 occ:1.00 O B:ALA144 2.2 13.1 1.0 OD1 B:ASN140 2.3 14.8 1.0 OD1 B:ASP138 2.4 17.1 1.0 OD2 B:ASP149 2.4 13.0 1.0 OD1 B:ASP142 2.5 11.8 1.0 O B:HOH302 2.5 16.8 1.0 OD1 B:ASP149 2.6 10.5 1.0 CG B:ASP149 2.8 11.7 1.0 CG B:ASP142 3.3 13.3 1.0 CG B:ASN140 3.3 13.3 1.0 CG B:ASP138 3.4 15.4 1.0 C B:ALA144 3.5 13.1 1.0 OD2 B:ASP142 3.6 13.9 1.0 ND2 B:ASN140 3.8 13.0 1.0 OD2 B:ASP138 4.0 13.6 1.0 N B:ASP142 4.2 15.0 1.0 CA B:ASP138 4.2 13.5 1.0 N B:ALA144 4.3 13.6 1.0 CB B:ASP138 4.3 14.0 1.0 CB B:ASP149 4.3 12.0 1.0 N B:ILE145 4.4 12.7 1.0 CA B:ILE145 4.4 12.9 1.0 CA B:ALA144 4.4 13.5 1.0 N B:ASN140 4.4 12.8 1.0 C B:ASP138 4.4 13.1 1.0 N B:LEU139 4.4 12.6 1.0 CB B:ASP142 4.5 13.7 1.0 N B:MET141 4.5 14.4 1.0 OD1 B:ASN146 4.6 13.6 1.0 CB B:ASN140 4.7 13.3 1.0 CA B:ASP142 4.8 14.2 1.0 N B:ASN146 4.8 12.8 1.0 CA B:ASN140 4.9 13.5 1.0 CB B:ALA144 4.9 13.1 1.0 N B:GLY143 4.9 14.1 1.0 C B:ASN140 4.9 13.7 1.0 N B:ASP149 4.9 12.5 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