Calcium in PDB 7z2u: Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate

All present enzymatic activity of Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate:
3.1.1.73;

The structure of Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate, PDB code: 7z2u was solved by K.K.Mogodiniyai, T.Reichenbach, D.C.Kalyani, M.M.Keskitalo, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.36 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.5, 79.5, 228.24, 90, 90, 90
R / Rfree (%)	17.9 / 21.6

The binding sites of Calcium atom in the Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate (pdb code 7z2u). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate, PDB code: 7z2u:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:31.4 occ:1.00 O B:GLU8 2.4 24.0 1.0 O B:HOH531 2.4 34.0 1.0 C B:GLU8 3.6 27.3 1.0 CA B:GLU8 4.4 23.6 1.0 N B:GLU8 4.4 24.2 1.0 OG1 B:THR7 4.4 25.2 1.0 CB B:GLU8 4.4 23.9 1.0 O B:HOH475 4.6 28.4 1.0 N B:ILE9 4.6 20.4 1.0 CA B:ILE9 4.8 23.4 1.0 CG1 B:ILE9 4.9 23.9 1.0

Calcium binding site 2 out of 2 in the Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:47.7 occ:1.00 OD2 B:ASP75 2.4 25.1 1.0 O B:HOH410 2.5 31.1 1.0 OG1 B:THR13 2.5 24.7 1.0 O B:HOH482 2.5 32.9 1.0 CB B:THR13 3.5 27.8 1.0 CG B:ASP75 3.5 24.8 1.0 OD1 B:ASP75 4.0 25.7 1.0 N B:THR13 4.1 22.8 1.0 CA B:THR13 4.4 21.3 1.0 OE2 B:GLU8 4.5 33.7 1.0 NH2 B:ARG15 4.5 22.9 1.0 OE1 B:GLU8 4.5 41.6 1.0 CG2 B:THR13 4.6 24.6 1.0 CB B:ASP75 4.8 24.7 1.0 CD B:GLU8 4.9 38.7 1.0

K.K.Mogodiniyai, T.Reichenbach, D.C.Kalyani, A.Jimenez Quero, M.M.Keskitalo, F.Vilaplana, C.Divne. Wild-Type Ferulic Acid Esterase From Lactobacillus Buchneri in Complex with Ferulate To Be Published.