Calcium in PDB 3kcp: Crystal Structure of Interacting Clostridium Thermocellum Multimodular Components

The structure of Crystal Structure of Interacting Clostridium Thermocellum Multimodular Components, PDB code: 3kcp was solved by J.J.Adams, M.A.Currie, E.A.Bayer, Z.Jia, S.P.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.49 / 1.94
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	169.977, 58.019, 56.150, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.1

The structure of Crystal Structure of Interacting Clostridium Thermocellum Multimodular Components also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Interacting Clostridium Thermocellum Multimodular Components (pdb code 3kcp). 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 Interacting Clostridium Thermocellum Multimodular Components, PDB code: 3kcp:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Interacting Clostridium Thermocellum Multimodular Components


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 Interacting Clostridium Thermocellum Multimodular Components within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:25.6 occ:1.00 O A:ALA290 2.3 23.7 1.0 OD1 A:ASP284 2.4 24.2 1.0 OD1 A:ASN288 2.4 24.2 1.0 O A:HOH345 2.4 28.2 1.0 OD1 A:ASN286 2.4 25.6 1.0 OD1 A:ASP295 2.5 23.2 1.0 OD2 A:ASP295 2.5 23.0 1.0 CG A:ASP295 2.8 25.4 1.0 CG A:ASN288 3.3 26.8 1.0 CG A:ASP284 3.5 24.1 1.0 CG A:ASN286 3.5 28.6 1.0 C A:ALA290 3.5 25.2 1.0 ND2 A:ASN288 3.8 24.6 1.0 N A:ASN288 4.1 29.6 1.0 ND2 A:ASN286 4.2 25.3 1.0 OD2 A:ASP284 4.2 27.5 1.0 OD1 A:ASN292 4.3 26.2 1.0 N A:ALA290 4.3 26.2 1.0 N A:ASN286 4.3 27.8 1.0 CB A:ASP295 4.3 21.4 1.0 CA A:ASP284 4.4 26.7 1.0 CA A:ALA290 4.4 23.9 1.0 C A:ASP284 4.4 28.0 1.0 N A:ILE291 4.4 23.7 1.0 CB A:ASN288 4.5 28.6 1.0 CA A:ILE291 4.5 23.7 1.0 CB A:ASP284 4.5 25.8 1.0 N A:ARG287 4.5 28.5 1.0 N A:ILE285 4.5 28.7 1.0 CB A:ASN286 4.7 26.6 1.0 CA A:ASN288 4.7 28.8 1.0 CA A:ASN286 4.7 26.9 1.0 C A:ASN286 4.7 27.8 1.0 OE1 A:GLN294 4.8 27.0 1.0 N A:ASN292 4.8 24.0 1.0 CG A:ASN292 4.8 26.1 1.0 CB A:ALA290 4.8 23.2 1.0 N A:GLY289 4.9 27.5 1.0 O A:ASP284 4.9 28.4 1.0 ND2 A:ASN292 4.9 25.7 1.0 N A:ASP295 5.0 20.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Interacting Clostridium Thermocellum Multimodular Components


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 Interacting Clostridium Thermocellum Multimodular Components within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:35.8 occ:1.00 O A:SER257 2.2 26.9 1.0 O A:VAL253 2.3 30.0 1.0 OD1 A:ASP255 2.4 26.4 1.0 OD1 A:ASP251 2.4 25.4 1.0 O A:HOH346 2.5 24.6 1.0 OD2 A:ASP262 2.5 23.9 1.0 OD1 A:ASP262 2.5 21.6 1.0 CG A:ASP262 2.8 22.0 1.0 CG A:ASP255 3.3 32.1 1.0 C A:SER257 3.4 25.4 1.0 C A:VAL253 3.5 29.4 1.0 CG A:ASP251 3.6 31.6 1.0 OD2 A:ASP255 3.7 29.9 1.0 CA A:ASP251 4.0 28.2 1.0 N A:ASP255 4.0 31.8 1.0 ND2 A:ASN259 4.0 31.7 1.0 N A:SER257 4.1 28.2 1.0 N A:VAL253 4.1 29.3 1.0 OD1 A:ASN259 4.3 27.2 1.0 CA A:SER257 4.3 28.1 1.0 CA A:VAL253 4.3 29.3 1.0 CB A:ASP251 4.3 26.9 1.0 CB A:ASP262 4.3 24.5 1.0 N A:ILE258 4.4 27.0 1.0 CG A:ASN259 4.4 27.3 1.0 N A:ILE252 4.4 28.3 1.0 C A:ASP251 4.4 27.9 1.0 CB A:VAL253 4.4 30.0 1.0 CA A:ILE258 4.4 25.0 1.0 N A:LYS254 4.5 31.2 1.0 OD2 A:ASP251 4.5 26.9 1.0 O A:GLY250 4.5 26.4 1.0 CB A:ASP255 4.5 31.4 1.0 N A:ASN259 4.5 26.2 1.0 CA A:ASP255 4.7 32.0 1.0 CA A:LYS254 4.7 33.5 1.0 C A:LYS254 4.7 33.2 1.0 CB A:SER257 4.8 27.9 1.0 N A:ASN256 4.9 32.1 1.0 C A:ASP255 4.9 31.9 1.0 CG1 A:VAL253 5.0 30.7 1.0

J.J.Adams, M.A.Currie, S.Ali, E.A.Bayer, Z.Jia, S.P.Smith. Insights Into Higher-Order Organization of the Cellulosome Revealed By A Dissect-and-Build Approach: Crystal Structure of Interacting Clostridium Thermocellum Multimodular Components J.Mol.Biol. V. 396 833 2010.
ISSN: ISSN 0022-2836
PubMed: 20070943
DOI: 10.1016/J.JMB.2010.01.015