Calcium in PDB 3wq0: Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Gluco-Oligosaccharide

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

The structure of Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Gluco-Oligosaccharide, PDB code: 3wq0 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)	15.97 / 1.22
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.900, 118.180, 46.700, 90.00, 90.00, 90.00
R / Rfree (%)	11.7 / 14.6

The binding sites of Calcium atom in the Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Gluco-Oligosaccharide (pdb code 3wq0). 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 Gluco-Oligosaccharide, PDB code: 3wq0:
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 Gluco-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 Gluco-Oligosaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:8.7 occ:0.89 OE2 A:GLU76 2.3 12.0 1.0 OD2 A:ASP142 2.3 11.5 1.0 O A:ASN74 2.4 8.6 1.0 OD1 A:ASP70 2.4 12.3 0.9 OD1 A:ASP72 2.4 9.9 1.0 OD1 A:ASP68 2.4 11.1 1.0 CG A:ASP72 3.3 12.1 1.0 CG A:ASP70 3.4 12.8 0.9 CG A:ASP142 3.5 10.7 1.0 C A:ASN74 3.5 7.0 1.0 CD A:GLU76 3.5 9.8 1.0 CG A:ASP68 3.5 9.9 1.0 OD2 A:ASP70 3.8 17.4 0.9 OD2 A:ASP72 3.8 13.9 1.0 CB A:ASP142 3.9 9.2 1.0 O A:HOH611 4.1 13.5 1.0 N A:ASN74 4.2 8.4 1.0 O A:HOH566 4.2 31.9 1.0 N A:ASP72 4.2 11.9 1.0 CA A:ASP68 4.2 8.9 1.0 CG A:GLU76 4.3 9.5 1.0 CA A:ASN74 4.3 8.2 1.0 CB A:ASP72 4.4 12.0 1.0 OD2 A:ASP68 4.4 12.4 1.0 CB A:ASP68 4.4 9.6 1.0 N A:GLU76 4.4 6.2 1.0 OE1 A:GLU76 4.4 11.7 1.0 N A:PRO75 4.4 6.8 1.0 CA A:PRO75 4.4 6.6 1.0 CB A:ASN74 4.4 8.9 1.0 C A:PRO75 4.5 6.1 1.0 N A:ASP70 4.5 11.5 0.9 OD1 A:ASP142 4.6 13.6 1.0 C A:ASP68 4.6 9.6 1.0 CA A:ASP72 4.7 11.6 1.0 N A:LYS69 4.7 11.8 1.0 CB A:ASP70 4.7 13.8 0.9 N A:GLY71 4.8 13.1 1.0 C A:ASP72 4.9 9.4 1.0 N A:GLY73 4.9 9.8 1.0 CA A:ASP70 5.0 12.4 0.9

Calcium binding site 2 out of 2 in the Structure of Hyperthermophilic Family 12 Endocellulase From Pyrococcus Furiosus in Complex with Gluco-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 Gluco-Oligosaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:6.6 occ:0.55 O A:LYS133 2.3 6.5 1.0 O A:ASN136 2.3 6.9 1.0 OD1 A:ASN132 2.4 6.4 1.0 O A:ASN138 2.4 6.8 1.0 O A:HOH617 2.4 8.0 1.0 N A:ASN138 3.1 6.8 1.0 C A:ASN138 3.3 6.2 1.0 C A:ASN136 3.3 6.8 1.0 C A:LYS133 3.3 5.9 1.0 N A:LYS133 3.4 5.8 1.0 CG A:ASN132 3.5 6.3 1.0 OD1 A:ASN136 3.5 6.8 1.0 C A:ALA137 3.6 7.8 1.0 CA A:ALA137 3.8 8.3 1.0 CA A:ASN138 3.8 6.7 1.0 CA A:LYS133 3.9 6.2 1.0 N A:ALA137 3.9 7.6 1.0 C A:ASN132 4.0 6.0 1.0 CG2 A:THR188 4.1 10.1 1.0 CA A:ASN132 4.3 5.8 1.0 ND2 A:ASN132 4.3 7.3 1.0 CB A:LYS133 4.3 7.1 1.0 O A:ALA137 4.4 8.5 1.0 N A:ASN136 4.4 7.0 1.0 N A:TYR139 4.4 5.9 1.0 CA A:ASN136 4.4 7.0 1.0 N A:PRO134 4.5 6.4 1.0 CB A:ASN132 4.5 6.4 1.0 O A:ARG187 4.5 7.1 1.0 CG A:ASN136 4.6 6.9 1.0 CB A:ASN138 4.7 7.4 1.0 CB A:TYR139 4.7 6.0 1.0 CA A:PRO134 4.7 6.4 1.0 CB A:THR188 4.8 9.1 1.0 CA A:TYR139 4.8 6.0 1.0 O A:ASN132 4.8 6.5 1.0 O A:HOH608 4.9 8.9 1.0

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