Calcium in PDB 3wq1: Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide

All present enzymatic activity of Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide:
3.2.1.4;

The structure of Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide, PDB code: 3wq1 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)	17.91 / 1.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.140, 118.420, 46.790, 90.00, 90.00, 90.00
R / Rfree (%)	11.2 / 13.9

The binding sites of Calcium atom in the Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide (pdb code 3wq1). 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 From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide, PDB code: 3wq1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide


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 From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:8.6 occ:0.90 OE2 A:GLU76 2.3 10.2 1.0 OD1 A:ASP70 2.3 13.2 1.0 OD1 A:ASP72 2.3 8.6 1.0 O A:ASN74 2.3 7.7 1.0 OD2 A:ASP142 2.3 10.6 1.0 OD1 A:ASP68 2.4 9.7 1.0 CG A:ASP72 3.2 10.4 1.0 CG A:ASP70 3.4 13.8 1.0 CG A:ASP142 3.5 9.3 1.0 C A:ASN74 3.5 6.8 1.0 CD A:GLU76 3.5 9.4 1.0 CG A:ASP68 3.5 9.3 1.0 OD2 A:ASP70 3.7 17.0 1.0 OD2 A:ASP72 3.8 14.0 1.0 CB A:ASP142 3.8 7.8 1.0 O A:HOH626 4.1 13.4 1.0 N A:ASN74 4.2 7.2 1.0 N A:ASP72 4.2 10.9 1.0 CA A:ASP68 4.2 8.6 1.0 CG A:GLU76 4.3 8.8 1.0 CA A:ASN74 4.3 7.6 1.0 CB A:ASP72 4.4 11.3 1.0 OD2 A:ASP68 4.4 11.6 1.0 CB A:ASP68 4.4 8.6 1.0 OE1 A:GLU76 4.4 11.5 1.0 N A:GLU76 4.4 6.3 1.0 CA A:PRO75 4.4 6.4 1.0 N A:PRO75 4.4 5.8 1.0 CB A:ASN74 4.5 8.8 1.0 C A:PRO75 4.5 5.7 1.0 N A:ASP70 4.5 11.7 1.0 OD1 A:ASP142 4.6 13.9 1.0 C A:ASP68 4.6 9.6 1.0 CB A:ASP70 4.6 13.8 1.0 N A:LYS69 4.7 10.3 1.0 CA A:ASP72 4.7 11.2 1.0 N A:GLY71 4.8 10.7 1.0 N A:GLY73 4.9 8.9 1.0 C A:ASP72 4.9 9.1 1.0 CA A:ASP70 4.9 13.0 1.0

Calcium binding site 2 out of 2 in the Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide


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 From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:6.8 occ:0.56 O A:LYS133 2.3 6.9 1.0 O A:ASN136 2.4 6.9 1.0 O A:ASN138 2.4 6.5 1.0 OD1 A:ASN132 2.4 6.8 1.0 O A:HOH632 2.4 8.1 1.0 N A:ASN138 3.2 6.5 1.0 C A:ASN136 3.3 6.7 1.0 C A:LYS133 3.3 5.7 1.0 C A:ASN138 3.4 5.8 1.0 N A:LYS133 3.4 5.7 1.0 CG A:ASN132 3.5 6.7 1.0 C A:ALA137 3.6 7.1 1.0 OD1 A:ASN136 3.6 6.5 1.0 CA A:ALA137 3.8 6.9 1.0 CA A:ASN138 3.8 6.4 1.0 CA A:LYS133 3.9 5.7 1.0 N A:ALA137 3.9 6.8 1.0 C A:ASN132 4.0 5.8 1.0 CG2 A:THR188 4.0 10.0 1.0 ND2 A:ASN132 4.3 7.2 1.0 CB A:LYS133 4.3 6.7 1.0 CA A:ASN132 4.3 6.1 1.0 O A:ALA137 4.3 8.9 1.0 N A:ASN136 4.4 7.3 1.0 N A:TYR139 4.4 6.2 1.0 CA A:ASN136 4.4 6.7 1.0 N A:PRO134 4.5 5.6 1.0 O A:ARG187 4.5 7.1 1.0 CB A:ASN132 4.5 6.7 1.0 CA A:PRO134 4.7 5.8 1.0 CB A:TYR139 4.7 6.3 1.0 CG A:ASN136 4.7 6.6 1.0 CB A:ASN138 4.7 7.0 1.0 CB A:THR188 4.7 8.4 1.0 CA A:TYR139 4.8 5.8 1.0 O A:ASN132 4.8 6.2 1.0 O A:HOH622 4.9 8.8 1.0 CA A:THR188 5.0 7.6 1.0

M.Kataoka, K.Ishikawa. Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Cello-Oligosaccharide To Be Published.