Calcium in PDB 4b9f: High Resolution Structure For Family 3A Carbohydrate Binding Module From the Cipa Scaffolding of Clostridium Thermocellum

The structure of High Resolution Structure For Family 3A Carbohydrate Binding Module From the Cipa Scaffolding of Clostridium Thermocellum, PDB code: 4b9f was solved by O.Yaniv, L.J.W.Shimon, E.A.Bayer, R.Lamed, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.165 / 1.19
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.939, 58.868, 87.525, 90.00, 90.00, 90.00
R / Rfree (%)	15.13 / 15.92

The binding sites of Calcium atom in the High Resolution Structure For Family 3A Carbohydrate Binding Module From the Cipa Scaffolding of Clostridium Thermocellum (pdb code 4b9f). 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 For Family 3A Carbohydrate Binding Module From the Cipa Scaffolding of Clostridium Thermocellum, PDB code: 4b9f:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the High Resolution Structure For Family 3A Carbohydrate Binding Module From the Cipa Scaffolding of Clostridium Thermocellum


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 For Family 3A Carbohydrate Binding Module From the Cipa Scaffolding of Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca153 b:10.6 occ:1.00 OD2 A:ASP46 2.4 13.9 1.0 O A:THR122 2.4 11.3 1.0 OD1 A:ASP126 2.4 11.2 1.0 OD1 A:ASN125 2.4 11.9 1.0 O A:THR44 2.5 10.7 1.0 OG1 A:THR44 2.5 10.9 1.0 O A:HOH2090 2.5 10.9 1.0 OD1 A:ASP46 2.8 15.2 1.0 CG A:ASP46 2.9 15.2 1.0 CG A:ASP126 3.3 9.8 1.0 CG A:ASN125 3.4 13.5 1.0 C A:THR44 3.4 10.3 1.0 C A:THR122 3.6 11.5 1.0 CB A:THR44 3.6 10.9 1.0 OD2 A:ASP126 3.6 10.2 1.0 CA A:THR44 3.8 10.7 1.0 N A:THR44 3.8 10.0 1.0 ND2 A:ASN125 3.9 17.2 1.0 N A:THR122 4.0 11.8 1.0 O A:ASN125 4.2 12.7 1.0 CA A:THR122 4.2 11.7 1.0 CB A:THR122 4.3 14.6 1.0 C A:ASN125 4.3 11.5 1.0 CB A:ASP46 4.4 13.6 1.0 N A:VAL45 4.6 11.1 1.0 N A:GLN123 4.6 10.9 1.0 CB A:ASN125 4.6 12.8 1.0 N A:ASP126 4.7 11.1 1.0 CB A:ASP126 4.7 10.4 1.0 N A:ASP46 4.7 12.2 1.0 CA A:GLN123 4.8 11.0 1.0 CA A:ASN125 4.8 12.0 1.0 N A:ASN125 4.8 12.8 1.0 CG2 A:THR44 4.8 12.8 1.0 C A:VAL45 4.9 11.6 1.0 CA A:ASP126 4.9 10.1 1.0 O A:HOH2095 5.0 32.0 1.0

Calcium binding site 2 out of 2 in the High Resolution Structure For Family 3A Carbohydrate Binding Module From the Cipa Scaffolding of Clostridium Thermocellum


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 For Family 3A Carbohydrate Binding Module From the Cipa Scaffolding of Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca153 b:8.0 occ:1.00 OD2 B:ASP46 2.3 11.1 1.0 O B:THR122 2.4 8.1 1.0 OD1 B:ASP126 2.4 8.0 1.0 OD1 B:ASN125 2.4 8.7 1.0 O B:HOH2199 2.4 8.3 1.0 OG1 B:THR44 2.4 8.0 1.0 O B:THR44 2.5 7.9 1.0 OD1 B:ASP46 3.0 13.0 1.0 CG B:ASP46 3.0 9.5 1.0 CG B:ASP126 3.3 8.3 1.0 CG B:ASN125 3.4 9.1 1.0 C B:THR44 3.4 7.5 1.0 C B:THR122 3.5 7.5 1.0 CB B:THR44 3.6 8.1 1.0 OD2 B:ASP126 3.6 8.6 1.0 CA B:THR44 3.8 7.3 1.0 N B:THR44 3.8 7.4 1.0 ND2 B:ASN125 3.8 11.6 1.0 N B:THR122 4.0 7.8 1.0 O B:ASN125 4.2 9.1 1.0 CA B:THR122 4.2 7.8 1.0 CB B:THR122 4.3 9.1 1.0 C B:ASN125 4.3 7.5 1.0 CB B:ASP46 4.4 9.8 1.0 N B:VAL45 4.6 8.0 1.0 N B:GLN123 4.6 8.2 1.0 CB B:ASN125 4.6 9.4 1.0 CB B:ASP126 4.7 8.6 1.0 N B:ASP126 4.7 8.4 1.0 N B:ASP46 4.7 9.0 1.0 CA B:GLN123 4.8 8.9 1.0 CA B:ASN125 4.8 8.1 1.0 N B:ASN125 4.8 9.2 1.0 CG2 B:THR44 4.8 10.1 1.0 C B:VAL45 4.9 9.1 1.0 CA B:ASP126 4.9 7.8 1.0

O.Yaniv, L.J.W.Shimon, E.A.Bayer, R.Lamed, F.Frolow. High Resolution Structure of the Family 3A Carbohydrate-Binding Module From the Mafor Scaffoldin Subunit Cipa of Clostridium Thermocellum To Be Published.