Calcium in PDB 3wyn: Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba.

The structure of Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba., PDB code: 3wyn was solved by K.Kitadokoro, U.Thumarat, F.Kawai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.26 / 1.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.473, 87.740, 72.619, 90.00, 133.35, 90.00
R / Rfree (%)	19.6 / 23.7

The binding sites of Calcium atom in the Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba. (pdb code 3wyn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba., PDB code: 3wyn:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:37.3 occ:1.00 OE1 A:GLU292 2.3 16.1 1.0 O A:HOH504 2.4 35.8 1.0 OD1 A:ASP243 2.4 26.1 1.0 OE2 A:GLU213 2.6 16.9 1.0 OE1 A:GLU213 2.6 16.4 1.0 CD A:GLU213 3.0 15.1 1.0 O A:HOH501 3.1 21.1 0.5 CD A:GLU292 3.3 16.9 1.0 CG A:ASP243 3.5 23.8 1.0 OE2 A:GLU292 4.1 17.6 1.0 OD2 A:ASP243 4.2 27.1 1.0 CG A:GLU292 4.4 15.9 1.0 O A:HOH665 4.4 44.8 1.0 CG A:GLU213 4.5 16.6 1.0 CB A:GLU292 4.5 15.5 1.0 CB A:ASP243 4.5 19.1 1.0 OH A:TYR214 4.8 19.1 1.0 CA A:ASP243 4.8 19.5 1.0 N A:GLY244 4.9 21.9 1.0 CA A:GLU292 5.0 17.2 1.0

Calcium binding site 2 out of 3 in the Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:53.2 occ:1.00 OE1 B:GLU292 2.2 36.8 1.0 OD1 B:ASP243 2.4 38.1 1.0 OE1 B:GLU213 2.4 31.5 1.0 O B:HOH600 2.6 52.5 1.0 OE2 B:GLU213 2.8 38.5 1.0 CD B:GLU213 3.0 32.3 1.0 O B:HOH678 3.0 49.2 1.0 CD B:GLU292 3.5 40.8 1.0 CG B:ASP243 3.5 38.9 1.0 OD2 B:ASP243 4.1 43.2 1.0 OH B:TYR214 4.3 52.4 1.0 CG B:GLU292 4.3 39.8 1.0 N B:GLY244 4.3 34.3 1.0 O B:HOH673 4.4 45.2 1.0 OE2 B:GLU292 4.4 42.8 1.0 CG B:GLU213 4.4 32.7 1.0 CB B:GLU292 4.6 39.3 1.0 CB B:ASP243 4.6 35.1 1.0 CA B:ASP243 4.7 31.7 1.0 CZ B:TYR214 4.9 49.0 1.0 C B:ASP243 4.9 33.6 1.0 CE2 B:TYR214 5.0 47.4 1.0

Calcium binding site 3 out of 3 in the Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:52.0 occ:1.00 O B:HOH670 2.3 58.1 1.0 O B:HOH700 2.4 47.4 1.0 O B:THR297 2.4 31.6 1.0 O B:PRO299 2.4 36.5 1.0 O B:HOH647 2.5 49.9 1.0 OD1 B:ASP236 2.6 28.6 1.0 O B:HOH592 2.6 45.9 1.0 C B:PRO299 3.6 38.4 1.0 CG B:ASP236 3.6 28.9 1.0 C B:THR297 3.6 31.4 1.0 OD2 B:ASP236 4.1 30.2 1.0 OG1 B:THR297 4.1 37.0 1.0 CB B:THR297 4.1 33.2 1.0 CA B:PHE300 4.2 42.9 1.0 C B:CYS298 4.3 33.1 1.0 O B:HOH695 4.3 51.3 1.0 N B:PRO299 4.3 37.4 1.0 N B:PHE300 4.3 38.9 1.0 CD1 B:PHE300 4.4 43.1 1.0 O B:CYS298 4.4 32.6 1.0 CA B:THR297 4.5 33.9 1.0 O B:HOH652 4.5 37.4 1.0 N B:CYS298 4.6 31.1 1.0 CA B:PRO299 4.6 35.8 1.0 CA B:CYS298 4.7 34.1 1.0 CD B:PRO299 4.7 36.9 1.0 O B:PRO234 4.8 30.6 1.0 CB B:ASP236 4.9 27.5 1.0 O B:PHE300 5.0 49.9 1.0

K.Kitadokoro, U.Thumarat, F.Kawai. Structure of Calcium Bound Cutinase EST119 From Thermobifida Alba. To Be Published.