Calcium in PDB 7s8k: Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1

All present enzymatic activity of Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1:
3.2.1.4;

The structure of Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1, PDB code: 7s8k was solved by P.J.Stogios, T.Skarina, A.Khusnutdinova, A.F.Yakunin, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.74 / 2.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.346, 55.975, 91.907, 90, 126.56, 90
R / Rfree (%)	18.1 / 22.1

The structure of Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1 (pdb code 7s8k). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1, PDB code: 7s8k:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:58.4 occ:0.86 O A:ASN24 2.4 51.4 1.0 OE2 A:GLU26 2.4 55.5 1.0 OD2 A:ASP92 2.4 54.7 1.0 OD1 A:ASP22 2.4 62.5 1.0 OD1 A:ASP20 2.4 72.6 1.0 OD1 A:ASP18 2.5 61.5 1.0 CG A:ASP20 3.2 71.3 1.0 CG A:ASP22 3.3 62.5 1.0 OD2 A:ASP20 3.4 77.5 1.0 CG A:ASP92 3.4 52.0 1.0 CD A:GLU26 3.5 50.9 1.0 C A:ASN24 3.6 50.5 1.0 CG A:ASP18 3.7 60.2 1.0 OD2 A:ASP22 3.7 61.7 1.0 CB A:ASP92 3.7 48.8 1.0 CG A:GLU26 4.0 48.2 1.0 N A:GLU26 4.3 45.6 1.0 CA A:ASP18 4.4 56.7 1.0 N A:ASN24 4.4 55.6 1.0 CA A:ASN24 4.4 53.1 1.0 OD2 A:ASP18 4.4 62.0 1.0 C A:PRO25 4.5 46.0 1.0 OD1 A:ASP92 4.5 55.8 1.0 CA A:PRO25 4.5 47.8 1.0 N A:PRO25 4.5 49.1 1.0 CB A:ASP22 4.5 67.3 1.0 N A:ASP22 4.5 68.5 1.0 OE1 A:GLU26 4.5 50.2 1.0 N A:ASP20 4.6 63.9 1.0 CB A:ASP18 4.6 57.8 1.0 CB A:ASN24 4.6 51.1 1.0 CB A:ASP20 4.6 69.9 1.0 C A:ASP18 4.7 60.0 1.0 N A:GLY19 4.7 55.9 1.0 N A:GLY21 4.9 74.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of A GH12-2 Family Cellulase From Thermococcus Sp. 2319X1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca306 b:63.9 occ:0.84 OD1 B:ASP20 2.3 81.6 1.0 OE2 B:GLU26 2.4 59.5 1.0 O B:ASN24 2.5 57.2 1.0 OD2 B:ASP92 2.5 57.6 1.0 OD1 B:ASP18 2.7 68.0 1.0 OD1 B:ASP22 2.9 67.5 1.0 CG B:ASP20 3.3 78.0 1.0 CD B:GLU26 3.4 58.6 1.0 CG B:ASP92 3.5 56.1 1.0 CG B:ASP22 3.6 69.3 1.0 C B:ASN24 3.6 55.8 1.0 CG B:ASP18 3.6 66.7 1.0 OD2 B:ASP22 3.8 69.8 1.0 CG B:GLU26 3.8 52.8 1.0 CB B:ASP92 3.8 51.8 1.0 N B:GLU26 3.9 50.9 1.0 OD2 B:ASP20 3.9 76.0 1.0 CA B:PRO25 4.0 51.6 1.0 C B:PRO25 4.1 50.3 1.0 CA B:ASP18 4.2 59.0 1.0 CB B:ASP20 4.2 75.6 1.0 N B:PRO25 4.3 53.2 1.0 OD2 B:ASP18 4.3 64.4 1.0 O B:HOH479 4.3 63.7 1.0 N B:ASP20 4.3 75.9 1.0 CB B:ASP18 4.5 63.7 1.0 OE1 B:GLU26 4.6 57.6 1.0 OD1 B:ASP92 4.6 54.1 1.0 C B:ASP18 4.7 64.5 1.0 N B:GLY19 4.7 65.5 1.0 N B:ASP22 4.7 68.3 1.0 N B:GLY21 4.7 72.5 1.0 CA B:ASP20 4.7 72.3 1.0 CA B:ASN24 4.7 56.9 1.0 N B:ASN24 4.8 60.0 1.0 CA B:GLU26 4.8 48.7 1.0 CB B:ASP22 4.8 68.8 1.0 O B:PRO25 4.8 49.5 1.0 O B:ILE17 4.8 53.4 1.0 CB B:GLU26 4.9 50.3 1.0 C B:ASP20 4.9 71.4 1.0

A.F.Yakunin, P.J.Stogios, T.Skarina, A.Khusnutdinova, A.F.Yakunin, A.Savchenko. N/A N/A.