Calcium in PDB 3wr0: Structure of Hyperthermophilic Family 12 Endocellulase Mutant From Pyrococcus Furiosus

All present enzymatic activity of Structure of Hyperthermophilic Family 12 Endocellulase Mutant From Pyrococcus Furiosus:
3.2.1.4;

The structure of Structure of Hyperthermophilic Family 12 Endocellulase Mutant From Pyrococcus Furiosus, PDB code: 3wr0 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)	16.20 / 1.16
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.960, 118.270, 46.690, 90.00, 90.00, 90.00
R / Rfree (%)	12.4 / 15.6

The binding sites of Calcium atom in the Structure of Hyperthermophilic Family 12 Endocellulase Mutant From Pyrococcus Furiosus (pdb code 3wr0). 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 Mutant From Pyrococcus Furiosus, PDB code: 3wr0:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Hyperthermophilic Family 12 Endocellulase Mutant From Pyrococcus Furiosus


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 Mutant From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:9.5 occ:0.95 OE2 A:GLU76 2.3 11.8 1.0 O A:ASN74 2.3 8.7 1.0 OD1 A:ASP70 2.3 13.6 1.0 OD1 A:ASP72 2.4 10.0 1.0 OD2 A:ASP142 2.4 11.2 1.0 OD1 A:ASP68 2.4 10.8 1.0 CG A:ASP72 3.3 11.3 1.0 CG A:ASP70 3.4 14.3 1.0 CG A:ASP142 3.5 10.8 1.0 CG A:ASP68 3.5 10.0 1.0 CD A:GLU76 3.5 9.6 1.0 C A:ASN74 3.5 8.6 1.0 OD2 A:ASP70 3.7 18.3 1.0 OD2 A:ASP72 3.8 14.2 1.0 CB A:ASP142 3.8 9.8 1.0 O A:HOH508 4.1 12.7 1.0 N A:ASN74 4.1 9.0 1.0 N A:ASP72 4.2 12.3 1.0 CA A:ASP68 4.2 10.2 1.0 CA A:ASN74 4.3 8.6 1.0 CG A:GLU76 4.3 9.9 1.0 CB A:ASP72 4.3 11.6 1.0 OD2 A:ASP68 4.4 12.9 1.0 N A:GLU76 4.4 6.9 1.0 CB A:ASP68 4.4 10.9 1.0 CB A:ASN74 4.4 9.2 1.0 OE1 A:GLU76 4.4 11.7 1.0 N A:PRO75 4.4 7.6 1.0 CA A:PRO75 4.4 7.8 1.0 C A:PRO75 4.5 6.6 1.0 N A:ASP70 4.5 13.0 1.0 OD1 A:ASP142 4.6 13.8 1.0 C A:ASP68 4.6 9.9 1.0 CA A:ASP72 4.6 10.7 1.0 CB A:ASP70 4.7 15.5 1.0 N A:LYS69 4.7 12.0 1.0 N A:GLY71 4.8 13.1 1.0 N A:GLY73 4.9 10.1 1.0 C A:ASP72 4.9 9.2 1.0 CA A:ASP70 5.0 13.2 1.0

Calcium binding site 2 out of 2 in the Structure of Hyperthermophilic Family 12 Endocellulase Mutant From Pyrococcus Furiosus


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 Mutant From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:9.2 occ:0.65 O A:LYS133 2.3 7.4 1.0 O A:ASN136 2.3 8.8 1.0 OD1 A:ASN132 2.3 7.8 1.0 O A:ASN138 2.3 8.0 1.0 O A:HOH515 2.4 9.1 1.0 N A:ASN138 3.2 8.0 1.0 C A:LYS133 3.3 6.8 1.0 C A:ASN138 3.3 7.4 1.0 C A:ASN136 3.3 8.2 1.0 N A:LYS133 3.4 6.7 1.0 CG A:ASN132 3.5 7.1 1.0 C A:ALA137 3.6 8.9 1.0 OD1 A:ASN136 3.7 8.3 1.0 CA A:ALA137 3.8 9.3 1.0 CA A:ASN138 3.8 7.7 1.0 CA A:LYS133 3.8 6.7 1.0 N A:ALA137 3.9 8.5 1.0 C A:ASN132 4.0 6.6 1.0 CG2 A:THR188 4.0 10.5 1.0 CB A:LYS133 4.2 7.5 1.0 ND2 A:ASN132 4.3 7.5 1.0 CA A:ASN132 4.3 6.9 1.0 O A:ALA137 4.3 10.1 1.0 N A:ASN136 4.3 8.0 1.0 N A:TYR139 4.4 6.7 1.0 N A:PRO134 4.4 7.0 1.0 CA A:ASN136 4.4 8.1 1.0 CB A:ASN132 4.5 7.3 1.0 O A:ARG187 4.5 8.1 1.0 CB A:TYR139 4.7 7.1 1.0 CA A:PRO134 4.7 7.0 1.0 CG A:ASN136 4.7 8.9 1.0 CB A:THR188 4.7 10.4 1.0 CB A:ASN138 4.8 8.0 1.0 CA A:TYR139 4.8 6.7 1.0 O A:ASN132 4.8 7.2 1.0 O A:HOH504 4.8 9.8 1.0

M.Kataoka, K.Ishikawa. Structure of Hyperthermophilic Family 12 Endocellulase Mutant From Pyrococcus Furiosus To Be Published.