Calcium in PDB 3wy6: Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Laminaribiose

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

The structure of Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Laminaribiose, PDB code: 3wy6 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)	41.55 / 1.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.030, 118.865, 46.873, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 17.8

The binding sites of Calcium atom in the Structure of Hyperthermophilic Family 12 Endocellulase (E197A) From Pyrococcus Furiosus in Complex with Laminaribiose (pdb code 3wy6). 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 Laminaribiose, PDB code: 3wy6:
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 Laminaribiose


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 Laminaribiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:14.4 occ:0.87 O A:ASN74 2.3 12.5 1.0 OE2 A:GLU76 2.3 21.5 1.0 OD1 A:ASP70 2.3 22.9 1.0 OD2 A:ASP142 2.4 19.0 1.0 OD1 A:ASP68 2.4 16.2 1.0 OD1 A:ASP72 2.4 17.3 1.0 CG A:ASP72 3.3 17.3 1.0 CG A:ASP70 3.4 24.3 1.0 CG A:ASP142 3.5 14.1 1.0 C A:ASN74 3.5 11.0 1.0 CD A:GLU76 3.5 16.9 1.0 CG A:ASP68 3.6 14.6 1.0 OD2 A:ASP70 3.7 27.9 1.0 OD2 A:ASP72 3.8 18.3 1.0 CB A:ASP142 3.9 11.7 1.0 O A:HOH553 4.1 22.4 1.0 N A:ASN74 4.2 11.4 1.0 N A:ASP72 4.3 17.9 1.0 CA A:ASP68 4.3 15.3 1.0 CG A:GLU76 4.3 14.1 1.0 CA A:ASN74 4.3 11.1 1.0 N A:GLU76 4.4 9.4 1.0 OD2 A:ASP68 4.4 17.9 1.0 N A:PRO75 4.4 10.1 1.0 CA A:PRO75 4.4 9.6 1.0 CB A:ASP72 4.4 15.7 1.0 CB A:ASP68 4.4 16.5 1.0 C A:PRO75 4.5 10.1 1.0 OE1 A:GLU76 4.5 18.7 1.0 CB A:ASN74 4.5 17.3 1.0 N A:ASP70 4.5 15.7 1.0 C A:ASP68 4.6 15.4 1.0 OD1 A:ASP142 4.6 19.3 1.0 N A:LYS69 4.6 16.6 1.0 CA A:ASP72 4.7 17.3 1.0 CB A:ASP70 4.7 23.8 1.0 N A:GLY71 4.9 20.4 1.0 N A:GLY73 4.9 15.5 1.0 C A:ASP72 4.9 17.5 1.0 O A:HOH574 5.0 27.0 0.6 CA A:ASP70 5.0 20.6 1.0

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


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 Laminaribiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:13.3 occ:0.61 O A:LYS133 2.3 9.8 1.0 O A:ASN136 2.3 9.7 1.0 O A:ASN138 2.3 9.6 1.0 OD1 A:ASN132 2.4 11.5 1.0 O A:HOH516 2.4 12.2 1.0 N A:ASN138 3.2 10.0 1.0 C A:LYS133 3.3 8.7 1.0 C A:ASN138 3.3 7.7 1.0 C A:ASN136 3.3 9.9 1.0 N A:LYS133 3.5 7.5 1.0 CG A:ASN132 3.5 9.0 1.0 C A:ALA137 3.6 11.4 1.0 OD1 A:ASN136 3.7 10.5 1.0 CA A:ASN138 3.8 9.1 1.0 CA A:ALA137 3.8 13.3 1.0 CA A:LYS133 3.8 9.2 1.0 N A:ALA137 4.0 11.4 1.0 C A:ASN132 4.1 8.9 1.0 CG2 A:THR188 4.1 17.5 1.0 CB A:LYS133 4.3 9.3 1.0 ND2 A:ASN132 4.3 9.4 1.0 O A:ALA137 4.3 13.2 1.0 N A:ASN136 4.3 10.3 1.0 CA A:ASN132 4.4 7.3 1.0 N A:TYR139 4.4 10.1 1.0 CA A:ASN136 4.4 9.9 1.0 N A:PRO134 4.5 9.7 1.0 O A:ARG187 4.5 12.8 1.0 CB A:ASN132 4.5 8.9 1.0 CB A:TYR139 4.6 8.3 1.0 CA A:PRO134 4.7 9.3 1.0 CB A:THR188 4.7 12.9 1.0 CB A:ASN138 4.7 10.1 1.0 CA A:TYR139 4.8 9.3 1.0 CG A:ASN136 4.8 11.4 1.0 O A:ASN132 4.8 8.7 1.0 O A:HOH566 4.9 22.2 1.0 CA A:THR188 4.9 10.5 1.0

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