Calcium in PDB 3p6b: The Crystal Structure of Celk CBM4 From Clostridium Thermocellum

All present enzymatic activity of The Crystal Structure of Celk CBM4 From Clostridium Thermocellum:
3.2.1.91;

The structure of The Crystal Structure of Celk CBM4 From Clostridium Thermocellum, PDB code: 3p6b was solved by P.M.Alahuhta, Y.Luo, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.48 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.949, 65.949, 272.436, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 27.4

The binding sites of Calcium atom in the The Crystal Structure of Celk CBM4 From Clostridium Thermocellum (pdb code 3p6b). 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 Crystal Structure of Celk CBM4 From Clostridium Thermocellum, PDB code: 3p6b:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of Celk CBM4 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 Crystal Structure of Celk CBM4 From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca205 b:29.8 occ:1.00 O A:THR41 2.3 30.1 1.0 O A:LYS74 2.3 31.8 1.0 OD1 A:ASN73 2.3 30.8 1.0 OD1 A:ASP186 2.4 23.9 1.0 OD2 A:ASP186 2.4 22.9 1.0 O A:HOH248 2.4 31.7 1.0 OD1 A:ASP43 2.6 34.6 1.0 CG A:ASP186 2.8 26.0 1.0 C A:THR41 3.4 30.6 1.0 CG A:ASP43 3.5 38.7 1.0 C A:LYS74 3.5 31.5 1.0 CG A:ASN73 3.5 34.5 1.0 N A:LYS74 3.8 33.3 1.0 OD2 A:ASP43 3.8 40.2 1.0 CA A:THR41 4.0 30.8 1.0 CB A:THR41 4.2 31.1 1.0 O A:HOH227 4.2 49.3 1.0 ND2 A:ASN73 4.3 34.6 1.0 CA A:LYS74 4.3 32.3 1.0 CB A:ASP186 4.3 24.7 1.0 OD1 A:ASP187 4.4 30.9 1.0 N A:ASP43 4.5 35.7 1.0 N A:ALA75 4.5 29.3 1.0 N A:PHE42 4.5 32.2 1.0 C A:ASN73 4.6 34.5 1.0 CA A:ASN73 4.6 35.7 1.0 CB A:ASN73 4.7 35.4 1.0 OG1 A:THR41 4.7 32.0 1.0 CA A:ALA75 4.7 28.4 1.0 CB A:ASP43 4.7 37.8 1.0 CA A:ASP43 4.8 37.7 1.0 C A:PHE42 4.9 34.0 1.0 CG A:ASP187 5.0 28.4 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of Celk CBM4 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 Crystal Structure of Celk CBM4 From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca205 b:31.8 occ:1.00 OD1 B:ASN73 2.2 30.3 1.0 O B:LYS74 2.2 33.4 1.0 O B:THR41 2.3 29.8 1.0 O B:HOH236 2.4 28.6 1.0 OD1 B:ASP186 2.5 26.5 1.0 OD2 B:ASP186 2.5 23.6 1.0 OD1 B:ASP43 2.5 32.4 1.0 CG B:ASP186 2.9 23.5 1.0 C B:LYS74 3.4 33.1 1.0 CG B:ASN73 3.4 34.8 1.0 C B:THR41 3.4 29.6 1.0 CG B:ASP43 3.5 37.5 1.0 N B:LYS74 3.6 35.3 1.0 OD2 B:ASP43 3.9 36.5 1.0 CA B:THR41 4.1 28.8 1.0 CA B:LYS74 4.1 34.3 1.0 ND2 B:ASN73 4.1 30.7 1.0 CB B:THR41 4.3 29.8 1.0 C B:ASN73 4.4 36.3 1.0 CB B:ASP186 4.4 22.9 1.0 N B:ALA75 4.4 31.0 1.0 OD1 B:ASP187 4.5 29.5 1.0 CA B:ASN73 4.5 37.0 1.0 N B:PHE42 4.5 31.1 1.0 CB B:ASN73 4.5 37.6 1.0 N B:ASP43 4.6 34.3 1.0 CA B:ALA75 4.7 29.8 1.0 CB B:ASP43 4.7 36.7 1.0 O B:HOH256 4.8 34.0 1.0 C B:PHE42 4.8 33.1 1.0 CA B:ASP43 4.8 36.7 1.0 CB B:PHE42 4.9 32.2 1.0 CA B:PHE42 4.9 32.0 1.0 CB B:LYS74 4.9 35.6 1.0

M.Alahuhta, Y.Luo, S.Y.Ding, M.E.Himmel, V.V.Lunin. Structure of CBM4 From Clostridium Thermocellum Cellulase K. Acta Crystallogr.,Sect.F V. 67 527 2011.
ISSN: ESSN 1744-3091
PubMed: 21543854
DOI: 10.1107/S1744309111003307