Calcium in PDB 4xun: Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C

All present enzymatic activity of Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C:
3.2.1.8;

The structure of Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C, PDB code: 4xun was solved by M.A.Sainz-Polo, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.45 / 1.75
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	92.539, 92.539, 48.401, 90.00, 90.00, 120.00
R / Rfree (%)	15.1 / 18.2

The binding sites of Calcium atom in the Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C (pdb code 4xun). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C, PDB code: 4xun:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1101 b:12.9 occ:1.00 O A:HOH1242 2.3 14.2 1.0 O A:ASP177 2.4 12.7 1.0 OE2 A:GLU179 2.4 15.1 1.0 O A:ARG206 2.4 12.4 1.0 OD2 A:ASP325 2.5 13.0 1.0 OD1 A:ASP325 2.5 12.0 1.0 OG A:SER204 2.6 12.8 1.0 CG A:ASP325 2.9 11.5 1.0 CB A:SER204 3.4 14.7 1.0 C A:ASP177 3.5 12.6 1.0 CD A:GLU179 3.5 18.3 1.0 C A:ARG206 3.5 13.1 1.0 CG A:GLU179 4.0 17.2 1.0 CA A:ASP177 4.1 13.0 1.0 N A:ARG206 4.1 15.6 1.0 CB A:ASP177 4.2 13.8 1.0 OD1 A:ASP326 4.3 13.7 1.0 CA A:ARG206 4.3 15.6 1.0 CB A:ASP325 4.4 11.2 1.0 N A:SER207 4.6 12.1 1.0 OE1 A:GLU179 4.6 21.4 1.0 O A:HOH1232 4.6 22.0 1.0 N A:PHE178 4.6 12.2 1.0 O A:HIS202 4.7 13.1 1.0 N A:HIS202 4.7 13.8 1.0 CA A:SER207 4.7 11.3 1.0 CA A:SER204 4.7 14.9 1.0 CB A:ARG206 4.8 18.0 1.0 CA A:GLY201 4.8 14.8 1.0 CB A:PHE178 4.8 11.7 1.0 N A:GLU179 4.9 14.7 1.0 C A:SER204 4.9 14.5 1.0 CB A:SER207 5.0 12.3 1.0 N A:ASN205 5.0 15.3 1.0

Calcium binding site 2 out of 3 in the Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:16.3 occ:1.00 O B:ARG206 2.3 14.8 1.0 O B:ASP177 2.4 17.4 1.0 OE2 B:GLU179 2.4 20.0 1.0 O B:HOH538 2.4 18.7 1.0 OD2 B:ASP325 2.4 11.5 1.0 OD1 B:ASP325 2.5 10.6 1.0 OG B:SER204 2.6 20.7 1.0 CG B:ASP325 2.8 11.7 1.0 CB B:SER204 3.5 22.8 1.0 CD B:GLU179 3.5 23.9 1.0 C B:ASP177 3.5 15.0 1.0 C B:ARG206 3.5 15.8 1.0 CG B:GLU179 4.0 21.7 1.0 CA B:ASP177 4.1 15.8 1.0 N B:ARG206 4.2 18.6 1.0 CB B:ASP177 4.2 18.6 1.0 CA B:ARG206 4.3 18.4 1.0 CB B:ASP325 4.3 11.9 1.0 OD1 B:ASP326 4.4 14.5 1.0 N B:SER207 4.5 14.3 1.0 OE1 B:GLU179 4.5 24.7 1.0 O B:HOH567 4.6 22.0 1.0 N B:PHE178 4.6 14.7 1.0 CA B:SER207 4.7 14.3 1.0 O B:HIS202 4.7 18.7 1.0 N B:HIS202 4.7 15.6 1.0 CB B:ARG206 4.8 21.4 1.0 CA B:SER204 4.8 21.4 1.0 CB B:PHE178 4.8 13.9 1.0 CA B:GLY201 4.8 17.6 1.0 N B:GLU179 4.8 18.5 1.0 CB B:SER207 4.9 13.9 1.0 C B:PHE178 5.0 16.3 1.0 C B:SER204 5.0 21.0 1.0 CA B:PHE178 5.0 14.2 1.0

Calcium binding site 3 out of 3 in the Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of the CBM22-2 Xylan-Binding Domain From Paenibacillus Barcinonensis XYN10C within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:20.9 occ:1.00 O C:HOH549 2.2 16.0 1.0 O C:ARG206 2.3 19.4 1.0 OE2 C:GLU179 2.4 24.6 1.0 O C:ASP177 2.4 19.7 1.0 OD2 C:ASP325 2.4 14.8 1.0 OD1 C:ASP325 2.5 13.8 1.0 OG C:SER204 2.6 24.5 1.0 CG C:ASP325 2.8 14.7 1.0 C C:ARG206 3.4 18.2 1.0 CB C:SER204 3.5 25.8 1.0 CD C:GLU179 3.5 26.6 1.0 C C:ASP177 3.6 19.9 1.0 CG C:GLU179 4.1 25.3 1.0 N C:ARG206 4.2 23.1 1.0 CA C:ASP177 4.2 20.5 1.0 CA C:ARG206 4.2 21.5 1.0 CB C:ASP325 4.4 14.2 1.0 CB C:ASP177 4.4 21.4 1.0 N C:SER207 4.4 17.0 1.0 OD1 C:ASP326 4.5 24.3 1.0 OE1 C:GLU179 4.6 27.9 1.0 CA C:SER207 4.6 15.3 1.0 N C:HIS202 4.7 18.1 1.0 O C:HIS202 4.7 22.1 1.0 N C:PHE178 4.7 19.0 1.0 CB C:ARG206 4.7 24.6 1.0 CA C:GLY201 4.8 20.1 1.0 CA C:SER204 4.8 24.1 1.0 CB C:PHE178 4.8 17.7 1.0 CB C:SER207 4.9 14.9 1.0 N C:GLU179 4.9 20.9 1.0 C C:SER204 5.0 25.6 1.0 C C:PHE178 5.0 20.2 1.0

M.A.Sainz-Polo, B.Gonzalez, M.Menendez, F.I.Pastor, J.Sanz-Aparicio. Exploring Multimodularity in Plant Cell Wall Deconstruction: Structural and Functional Analysis of XYN10C Containing the CBM22-1-CBM22-2 Tandem. J.Biol.Chem. V. 290 17116 2015.
ISSN: ESSN 1083-351X
PubMed: 26001782
DOI: 10.1074/JBC.M115.659300