Calcium in PDB 3wxp: Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose

All present enzymatic activity of Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose:
3.2.1.4;

The structure of Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose, PDB code: 3wxp was solved by M.Kataoka, K.Ishikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.84 / 1.42
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.738, 119.281, 46.794, 90.00, 90.00, 90.00
R / Rfree (%)	11.2 / 15.2

The binding sites of Calcium atom in the Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose (pdb code 3wxp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose, PDB code: 3wxp:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:14.9 occ:0.90 OD1 A:ASP70 2.3 19.6 1.0 OE2 A:GLU76 2.3 17.9 1.0 O A:ASN74 2.4 14.0 1.0 OD2 A:ASP142 2.4 18.7 1.0 OD1 A:ASP72 2.4 16.6 1.0 OD1 A:ASP68 2.4 16.1 1.0 CG A:ASP72 3.3 16.6 1.0 CG A:ASP70 3.3 20.1 1.0 C A:ASN74 3.5 13.8 1.0 CG A:ASP142 3.5 17.2 1.0 CD A:GLU76 3.5 15.4 1.0 CG A:ASP68 3.6 15.8 1.0 OD2 A:ASP70 3.7 27.4 1.0 OD2 A:ASP72 3.8 20.9 1.0 CB A:ASP142 3.9 13.7 1.0 O A:HOH529 4.1 15.2 1.0 O A:HOH707 4.1 34.2 1.0 N A:ASN74 4.2 14.0 1.0 N A:ASP72 4.2 17.2 1.0 CG A:GLU76 4.3 13.5 1.0 CA A:ASP68 4.3 13.3 1.0 CA A:ASN74 4.3 12.5 1.0 CB A:ASP72 4.4 15.8 1.0 OD2 A:ASP68 4.4 19.0 1.0 CA A:PRO75 4.4 13.0 1.0 N A:GLU76 4.4 11.5 1.0 OE1 A:GLU76 4.4 16.1 1.0 N A:PRO75 4.4 13.2 1.0 CB A:ASN74 4.4 16.3 1.0 C A:PRO75 4.4 12.6 1.0 CB A:ASP68 4.5 14.1 1.0 N A:ASP70 4.5 18.8 1.0 C A:ASP68 4.6 16.4 1.0 OD1 A:ASP142 4.6 19.9 1.0 CB A:ASP70 4.7 20.8 1.0 N A:LYS69 4.7 15.4 1.0 CA A:ASP72 4.7 15.3 1.0 N A:GLY71 4.8 18.8 1.0 N A:GLY73 4.9 15.0 1.0 C A:ASP72 4.9 15.6 1.0 CA A:ASP70 5.0 19.6 1.0

Calcium binding site 2 out of 2 in the Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:12.6 occ:0.61 O A:LYS133 2.3 10.6 1.0 O A:ASN136 2.3 12.1 1.0 OD1 A:ASN132 2.3 12.3 1.0 O A:ASN138 2.3 11.3 1.0 O A:HOH519 2.4 11.6 1.0 N A:ASN138 3.2 11.0 1.0 C A:ASN136 3.3 11.8 1.0 C A:ASN138 3.3 10.2 1.0 C A:LYS133 3.3 11.3 1.0 N A:LYS133 3.5 9.2 1.0 CG A:ASN132 3.5 10.6 1.0 C A:ALA137 3.6 11.9 1.0 OD1 A:ASN136 3.6 12.3 1.0 CA A:ALA137 3.8 13.4 1.0 CA A:ASN138 3.8 10.5 1.0 CA A:LYS133 3.9 10.8 1.0 N A:ALA137 3.9 12.0 1.0 C A:ASN132 4.0 10.0 1.0 CG2 A:THR188 4.1 14.7 1.0 ND2 A:ASN132 4.3 11.9 1.0 CB A:LYS133 4.3 10.7 1.0 CA A:ASN132 4.3 8.9 1.0 O A:ALA137 4.4 13.8 1.0 N A:ASN136 4.4 10.6 1.0 N A:TYR139 4.4 11.1 1.0 N A:PRO134 4.4 11.1 1.0 O A:ARG187 4.5 13.4 1.0 CA A:ASN136 4.5 11.8 1.0 CB A:ASN132 4.5 10.4 1.0 CA A:PRO134 4.7 10.3 1.0 CB A:TYR139 4.7 11.0 1.0 CG A:ASN136 4.7 11.3 1.0 CB A:ASN138 4.8 12.2 1.0 CA A:TYR139 4.8 9.5 1.0 O A:ASN132 4.8 11.0 1.0 CB A:THR188 4.8 13.5 1.0 O A:HOH819 4.9 13.4 1.0 CA A:THR188 4.9 12.3 1.0

M.Kataoka, K.Ishikawa. Structure of Hyperthermophilic Family 12 Endocellulase Mutant (E197A) From Pyrococcus Furiosus in Complex with Cellobiose To Be Published.