Calcium in PDB 4xwm: Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose

All present enzymatic activity of Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose:
3.2.1.91;

The structure of Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose, PDB code: 4xwm was solved by Y.-C.Liaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.51 / 1.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	109.140, 109.140, 182.145, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 16.3

The binding sites of Calcium atom in the Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose (pdb code 4xwm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose, PDB code: 4xwm:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca705 b:48.5 occ:1.00 O A:GLN178 2.4 15.6 1.0 OD2 A:ASP397 2.4 23.7 1.0 O A:HOH1276 2.5 32.0 1.0 OE2 A:GLU183 2.5 18.0 1.0 OE1 A:GLN178 2.6 27.7 1.0 O A:HOH1386 2.6 37.6 1.0 OE1 A:GLU183 3.0 29.4 1.0 CD A:GLU183 3.1 22.6 1.0 CG A:ASP397 3.4 30.5 1.0 C A:GLN178 3.5 14.8 1.0 CB A:ASP397 3.7 26.1 1.0 CD A:GLN178 3.8 26.8 1.0 CB A:GLN178 4.0 15.1 1.0 CA A:GLN178 4.1 14.3 1.0 NH2 A:ARG550 4.2 27.2 1.0 N A:SER180 4.3 12.4 1.0 CG A:GLN178 4.5 21.1 1.0 OD1 A:ASP397 4.5 28.0 1.0 N A:GLU179 4.6 13.0 1.0 CG A:GLU183 4.6 13.9 1.0 OG A:SER180 4.7 14.6 1.0 CB A:SER180 4.7 14.0 1.0 NE2 A:GLN178 4.7 28.0 1.0 CA A:GLU179 4.8 13.0 1.0

Calcium binding site 2 out of 2 in the Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex Structure of Catalytic Domain of Clostridium Cellulovorans Exgs and Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca706 b:18.6 occ:1.00 O A:THR165 2.3 8.8 1.0 OD1 A:ASP154 2.4 9.2 1.0 OE2 A:GLU26 2.4 9.5 1.0 O A:VAL153 2.5 7.9 1.0 O A:HOH901 2.6 21.4 1.0 OE1 A:GLU26 2.6 10.2 1.0 CD A:GLU26 2.8 9.2 1.0 C A:VAL153 3.5 7.8 1.0 CG A:ASP154 3.5 11.7 1.0 C A:THR165 3.5 9.4 1.0 CA A:ASP154 3.6 8.3 1.0 O A:HOH881 3.7 12.8 1.0 CG2 A:THR165 3.8 12.7 0.1 N A:ASP154 3.9 8.0 1.0 CB A:ASP154 4.1 8.7 1.0 CG1 A:VAL153 4.1 9.4 1.0 CA A:SER166 4.1 8.5 0.4 CA A:SER166 4.1 8.5 0.6 CD A:PRO167 4.2 8.0 1.0 N A:SER166 4.3 8.7 1.0 C A:SER166 4.3 8.0 1.0 N A:PRO167 4.3 7.8 1.0 CG A:GLU26 4.3 9.6 1.0 CG A:PRO167 4.3 7.7 1.0 CB A:THR165 4.4 14.7 0.9 OG1 A:THR165 4.5 15.5 0.9 OD2 A:ASP154 4.5 9.1 1.0 CA A:THR165 4.6 9.1 0.9 CA A:THR165 4.6 12.2 0.1 CB A:THR165 4.6 15.8 0.1 CB A:SER24 4.6 8.0 1.0 O A:HOH805 4.6 18.5 1.0 OG A:SER24 4.7 7.3 1.0 CA A:VAL153 4.7 7.5 1.0 C A:ASP154 4.7 8.2 1.0 O A:SER166 4.9 9.1 1.0 CB A:VAL153 5.0 7.7 1.0

L.-C.Tsai, I.Amiraslanov, H.R.Chen, Y.W.Chen, H.L.Lee, P.H.Liang, Y.-C.Liaw. Structures of Exoglucanase From Clostridium Cellulovorans: Cellotetraose Binding and Cleavage Acta Crystallogr.,Sect.F V. 71 1264 2015.
ISSN: ESSN 2053-230X
PubMed: 26457517
DOI: 10.1107/S2053230X15015915