Calcium in PDB 6g21: Crystal Structure of An Esterase From Aspergillus Oryzae

All present enzymatic activity of Crystal Structure of An Esterase From Aspergillus Oryzae:
3.1.1.73;

The structure of Crystal Structure of An Esterase From Aspergillus Oryzae, PDB code: 6g21 was solved by O.V.Moroz, E.Blagova, G.J.Davies, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.72 / 2.10
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	119.472, 119.472, 142.850, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 19.4

The binding sites of Calcium atom in the Crystal Structure of An Esterase From Aspergillus Oryzae (pdb code 6g21). 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 An Esterase From Aspergillus Oryzae, PDB code: 6g21:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of An Esterase From Aspergillus Oryzae


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 An Esterase From Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca611 b:26.4 occ:1.00 O A:ILE247 2.4 26.4 1.0 OD1 A:ASP238 2.4 27.3 1.0 O A:ALA243 2.4 27.2 1.0 O A:ASP238 2.5 23.9 1.0 OD1 A:ASP245 2.5 26.9 1.0 OD2 A:ASP241 2.5 27.1 1.0 O A:HOH746 2.5 25.3 1.0 OD1 A:ASP241 2.5 30.3 1.0 CG A:ASP241 2.8 32.6 1.0 C A:ASP238 3.5 24.9 1.0 CG A:ASP245 3.5 28.6 1.0 C A:ILE247 3.6 26.3 1.0 C A:ALA243 3.6 31.1 1.0 CG A:ASP238 3.6 29.6 1.0 OD2 A:ASP245 3.9 30.2 1.0 CA A:ASP238 4.1 26.7 1.0 N A:ILE247 4.2 26.0 1.0 N A:ASP245 4.2 28.0 1.0 CA A:ILE247 4.3 26.4 1.0 CB A:ALA243 4.3 29.6 1.0 CA A:ALA243 4.4 28.3 1.0 CB A:ASP241 4.4 28.1 1.0 O A:HOH743 4.4 26.8 1.0 N A:ALA243 4.4 28.0 1.0 CB A:ASP238 4.5 27.5 1.0 N A:ILE248 4.5 24.7 1.0 OD2 A:ASP238 4.6 27.6 1.0 N A:GLY239 4.6 26.4 1.0 CB A:ILE247 4.6 28.9 1.0 N A:GLU244 4.6 27.6 1.0 N A:GLU249 4.6 26.1 1.0 CA A:ILE248 4.7 26.8 1.0 CB A:ASP245 4.8 29.5 1.0 CA A:GLU244 4.8 30.5 1.0 CA A:ASP245 4.9 30.1 1.0 CA A:GLY239 5.0 26.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of An Esterase From Aspergillus Oryzae


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 An Esterase From Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca608 b:24.5 occ:1.00 OD1 B:ASP238 2.3 22.3 1.0 O B:ILE247 2.3 25.4 1.0 O B:ALA243 2.4 28.1 1.0 O B:HOH810 2.4 22.2 1.0 O B:ASP238 2.5 27.2 1.0 OD1 B:ASP245 2.5 26.7 1.0 OD2 B:ASP241 2.5 28.2 1.0 OD1 B:ASP241 2.5 25.6 1.0 CG B:ASP241 2.9 28.7 1.0 C B:ASP238 3.4 25.2 1.0 C B:ILE247 3.5 28.1 1.0 C B:ALA243 3.5 31.9 1.0 CG B:ASP238 3.6 24.0 1.0 CG B:ASP245 3.6 32.0 1.0 CA B:ASP238 4.0 26.6 1.0 OD2 B:ASP245 4.1 27.1 1.0 N B:ILE247 4.1 27.7 1.0 N B:ASP245 4.2 30.6 1.0 CB B:ALA243 4.3 29.2 1.0 CA B:ALA243 4.3 28.7 1.0 CA B:ILE247 4.3 29.9 1.0 CB B:ASP238 4.4 25.6 1.0 N B:ALA243 4.4 28.6 1.0 CB B:ASP241 4.4 25.4 1.0 OD2 B:ASP238 4.5 26.1 1.0 O B:HOH753 4.5 24.6 1.0 CB B:ILE247 4.5 31.0 1.0 N B:ILE248 4.5 27.4 1.0 N B:GLY239 4.5 27.5 1.0 N B:GLU244 4.6 32.5 1.0 CA B:ILE248 4.7 26.0 1.0 N B:GLU249 4.7 21.7 1.0 CA B:GLU244 4.7 34.3 1.0 CB B:ASP245 4.8 29.6 1.0 CA B:ASP245 4.9 28.2 1.0 CA B:GLY239 4.9 29.0 1.0 N B:GLY246 4.9 28.1 1.0

O.V.Moroz, E.Blagova, G.J.Davies, K.S.Wilson. Crystal Structure of An Esterase From Aspergillus Oryzae To Be Published.