Calcium in PDB 2w1w: Native Structure of A Family 35 Carbohydrate Binding Module From Clostridium Thermocellum

The structure of Native Structure of A Family 35 Carbohydrate Binding Module From Clostridium Thermocellum, PDB code: 2w1w was solved by T.M.Gloster, G.J.Davies, M.Correia, J.Prates, C.Fontes, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	204.12 / 1.55
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	46.386, 46.386, 204.520, 90.00, 90.00, 120.00
R / Rfree (%)	13.2 / 17.1

The binding sites of Calcium atom in the Native Structure of A Family 35 Carbohydrate Binding Module From Clostridium Thermocellum (pdb code 2w1w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Native Structure of A Family 35 Carbohydrate Binding Module From Clostridium Thermocellum, PDB code: 2w1w:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Native Structure of A Family 35 Carbohydrate Binding Module 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 Native Structure of A Family 35 Carbohydrate Binding Module From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1132 b:24.6 occ:1.00 O A:HOH2020 2.2 21.2 1.0 O A:CYS30 2.2 15.1 1.0 OD1 A:ASP124 2.3 14.5 1.0 O A:THR27 2.3 17.8 1.0 O A:ASP124 2.5 12.6 1.0 CG A:ASP124 3.3 14.4 1.0 C A:THR27 3.4 17.8 1.0 C A:ASP124 3.4 11.7 1.0 C A:CYS30 3.4 13.9 1.0 CA A:ASP124 3.8 12.4 1.0 OE1 A:GLU10 4.0 16.5 1.0 N A:THR27 4.0 17.7 1.0 CB A:ALA9 4.0 14.9 1.0 OG1 A:THR27 4.0 17.1 1.0 CB A:ASP124 4.1 12.4 1.0 OD2 A:ASP124 4.2 16.5 1.0 CA A:THR27 4.2 18.0 1.0 N A:CYS30 4.2 16.7 1.0 N A:TYR31 4.3 14.6 1.0 N A:ALA9 4.3 12.0 1.0 N A:GLY28 4.3 18.8 1.0 OE1 A:GLN8 4.3 25.0 1.0 CA A:TYR31 4.4 13.5 1.0 CA A:CYS30 4.5 15.4 1.0 CA A:GLY28 4.5 18.9 1.0 N A:TYR125 4.6 11.0 1.0 CB A:TYR26 4.6 17.5 1.0 C A:GLY28 4.8 20.2 1.0 CB A:THR27 4.8 18.1 1.0 CA A:ALA9 4.8 13.2 1.0 CB A:TYR31 4.8 14.5 1.0 CD1 A:TYR26 4.8 18.3 1.0 N A:SER29 4.8 19.8 1.0 O A:HOH2071 4.8 31.6 1.0 CB A:TYR125 4.9 11.5 1.0 C A:TYR26 5.0 17.7 1.0 CD2 A:TYR125 5.0 12.3 1.0 CD A:GLU10 5.0 16.8 1.0

Calcium binding site 2 out of 3 in the Native Structure of A Family 35 Carbohydrate Binding Module 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 Native Structure of A Family 35 Carbohydrate Binding Module From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1134 b:20.6 occ:1.00 NE2 B:GLN8 2.3 13.2 1.0 O B:CYS30 2.3 12.8 1.0 OD1 B:ASP124 2.3 12.4 1.0 O B:THR27 2.3 13.2 1.0 O B:ASP124 2.6 10.7 1.0 CG B:ASP124 3.4 11.5 1.0 O B:HOH2020 3.4 15.9 1.0 C B:THR27 3.4 13.1 1.0 CD B:GLN8 3.4 15.9 1.0 C B:ASP124 3.5 11.0 1.0 C B:CYS30 3.5 12.6 1.0 CA B:ASP124 3.8 10.2 1.0 OE1 B:GLN8 4.0 19.4 1.0 OG1 B:THR27 4.0 15.4 1.0 N B:THR27 4.0 14.0 1.0 CB B:ALA9 4.1 12.6 1.0 N B:ALA9 4.2 11.7 1.0 OD2 B:ASP124 4.2 13.5 1.0 CA B:THR27 4.2 14.2 1.0 CB B:ASP124 4.2 11.1 1.0 N B:CYS30 4.3 13.0 1.0 N B:GLY28 4.4 14.5 1.0 N B:TYR31 4.4 12.2 1.0 CA B:TYR31 4.4 11.5 1.0 CA B:GLY28 4.5 14.1 1.0 CA B:CYS30 4.5 12.7 1.0 CB B:TYR26 4.6 14.3 1.0 N B:TYR125 4.6 10.3 1.0 CG B:GLN8 4.6 13.9 1.0 CB B:GLN8 4.7 11.9 1.0 CB B:THR27 4.7 14.5 1.0 CB B:TYR31 4.8 11.3 1.0 C B:GLY28 4.8 13.6 1.0 CA B:ALA9 4.8 11.8 1.0 CB B:TYR125 4.9 9.9 1.0 N B:SER29 4.9 13.0 1.0 CA B:GLN8 4.9 11.1 1.0 CD1 B:TYR26 4.9 14.4 1.0

Calcium binding site 3 out of 3 in the Native Structure of A Family 35 Carbohydrate Binding Module From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Native Structure of A Family 35 Carbohydrate Binding Module From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1135 b:23.3 occ:1.00 O1 B:GOL1136 2.3 25.0 1.0 OD1 B:ASN33 2.3 17.3 1.0 O B:TYR34 2.3 13.7 1.0 O B:HOH2112 2.4 24.4 1.0 O B:HOH2081 2.5 31.2 1.0 O B:HOH2183 2.5 15.3 1.0 C1 B:GOL1136 3.3 26.1 1.0 C B:TYR34 3.4 12.1 1.0 CG B:ASN33 3.4 14.9 1.0 N B:TYR34 3.6 12.0 1.0 ND2 B:ASN36 3.8 22.6 0.5 NH1 B:ARG68 3.9 22.9 1.0 O B:HOH2068 4.0 48.3 1.0 CA B:TYR34 4.0 12.3 1.0 O2 B:GOL1136 4.0 27.3 1.0 ND2 B:ASN33 4.1 19.6 1.0 OD1 B:ASN122 4.2 12.6 1.0 C B:ASN33 4.2 12.7 1.0 C2 B:GOL1136 4.2 25.2 1.0 OD1 B:ASN36 4.3 25.3 0.5 CB B:TYR34 4.3 11.7 1.0 O B:GLY120 4.3 12.0 1.0 CG B:ASN36 4.3 20.0 0.5 O B:HOH2197 4.5 28.8 1.0 N B:HIS35 4.6 13.8 1.0 CA B:ASN33 4.6 12.4 1.0 CB B:ASN33 4.6 12.5 1.0 C B:HIS35 4.6 14.3 1.0 O B:HIS35 4.8 14.6 1.0 N B:ASN36 4.8 15.8 1.0 CA B:HIS35 4.9 14.3 1.0 O B:ASP118 4.9 15.2 1.0 O B:ASN33 4.9 13.7 1.0 O B:HOH2076 5.0 21.9 1.0

C.Montanier, A.L.Van Bueren, C.Dumon, J.E.Flint, M.A.Correia, J.A.Prates, S.J.Firbank, R.J.Lewis, G.G.Grondin, M.G.Ghinet, T.M.Gloster, C.Herve, J.P.Knox, B.G.Talbot, J.P.Turkenburg, J.Kerovuo, R.Brzezinski, C.M.G.A.Fontes, G.J.Davies, A.B.Boraston, H.J.Gilbert. Evidence That Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.Usa V. 106 3065 2009.
ISSN: ISSN 0027-8424
PubMed: 19218457
DOI: 10.1073/PNAS.0808972106