Calcium in PDB 7z2v: Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri

All present enzymatic activity of Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri:
3.1.1.73;

The structure of Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri, PDB code: 7z2v 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)	40.14 / 1.45
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.96, 79.96, 227.94, 90, 90, 90
R / Rfree (%)	16.7 / 17.7

The binding sites of Calcium atom in the Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri (pdb code 7z2v). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri, PDB code: 7z2v:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:20.7 occ:0.79 O A:HOH514 2.3 39.6 1.0 O A:HOH691 2.3 38.4 1.0 O A:HOH601 2.4 32.4 1.0 OD2 A:ASP75 2.4 21.3 1.0 O A:HOH579 2.4 36.7 1.0 O A:HOH483 2.4 28.1 1.0 OG1 A:THR13 2.5 22.0 1.0 O A:HOH462 2.5 29.3 1.0 CG A:ASP75 3.5 20.0 1.0 CB A:THR13 3.5 20.4 1.0 OD1 A:ASP75 3.8 19.6 1.0 N A:THR13 4.1 18.5 1.0 O B:HOH629 4.4 38.8 1.0 NH2 A:ARG15 4.4 18.8 1.0 CA A:THR13 4.4 17.4 1.0 OE2 A:GLU8 4.5 27.6 1.0 O A:HOH640 4.5 39.0 1.0 OE1 A:GLU8 4.6 28.6 1.0 CG2 A:THR13 4.6 19.6 1.0 CB A:ASP75 4.7 19.0 1.0 O B:HOH659 4.8 42.6 1.0 CD A:GLU8 5.0 22.6 1.0 O A:GLY11 5.0 24.0 1.0

Calcium binding site 2 out of 5 in the Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:39.6 occ:0.57 O A:HOH406 2.2 46.8 1.0 OD2 A:ASP22 2.2 43.2 1.0 O A:HOH590 2.3 43.7 1.0 OE1 A:GLN-1 2.6 51.5 1.0 OD1 A:ASP22 2.9 43.1 1.0 CG A:ASP22 2.9 40.9 1.0 CD A:GLN-1 3.7 48.5 1.0 CB A:ASP22 4.4 31.6 1.0 NE2 A:GLN-1 4.4 52.4 1.0 OG A:SER0 4.5 32.0 1.0 O A:HOH533 4.6 41.6 1.0 O A:HOH488 4.6 27.6 1.0 N A:SER0 4.7 29.6 1.0 CG A:GLN-1 4.9 46.0 1.0 CB A:SER0 4.9 27.3 1.0 CB A:GLN-1 5.0 41.4 1.0

Calcium binding site 3 out of 5 in the Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:24.6 occ:0.68 O B:HOH569 2.3 39.4 1.0 O B:HOH658 2.3 43.8 1.0 O B:HOH557 2.3 39.4 1.0 O B:HOH610 2.3 46.4 1.0 O B:HOH516 2.4 30.6 1.0 OD2 B:ASP75 2.4 20.0 1.0 O B:HOH482 2.4 30.0 1.0 OG1 B:THR13 2.5 25.4 1.0 CG B:ASP75 3.5 20.9 1.0 CB B:THR13 3.5 23.0 1.0 OD1 B:ASP75 3.8 23.2 1.0 N B:THR13 4.1 19.6 1.0 NH2 B:ARG15 4.4 21.9 1.0 CA B:THR13 4.4 18.0 1.0 OE1 B:GLU8 4.5 34.2 1.0 O A:HOH639 4.5 41.4 1.0 OE2 B:GLU8 4.6 36.7 1.0 CG2 B:THR13 4.6 21.3 1.0 O B:HOH612 4.7 42.8 1.0 CB B:ASP75 4.7 19.3 1.0 CD B:GLU8 5.0 33.8 1.0

Calcium binding site 4 out of 5 in the Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:34.7 occ:0.61 O B:HOH553 2.1 44.4 1.0 OD2 B:ASP22 2.2 41.1 1.0 O B:HOH615 2.4 41.4 1.0 OE1 B:GLN-1 2.5 46.7 1.0 OD1 B:ASP22 2.7 37.7 1.0 CG B:ASP22 2.8 38.5 1.0 CD B:GLN-1 3.7 46.5 1.0 CB B:ASP22 4.3 30.1 1.0 OG B:SER0 4.4 28.4 1.0 NE2 B:GLN-1 4.4 48.6 1.0 O B:HOH550 4.6 47.3 1.0 O B:HOH514 4.6 27.6 1.0 N B:SER0 4.7 29.8 1.0 CG B:GLN-1 4.7 43.7 1.0 O B:HOH457 4.8 38.7 1.0 CB B:GLN-1 4.8 39.6 1.0 CB B:SER0 4.9 25.7 1.0

Calcium binding site 5 out of 5 in the Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca305 b:23.0 occ:0.90 O B:GLU8 2.3 18.9 1.0 O B:HOH535 2.4 33.3 1.0 O B:HOH603 2.6 29.2 1.0 C B:GLU8 3.5 19.3 1.0 CA B:GLU8 4.3 20.3 1.0 N B:GLU8 4.3 19.3 1.0 CB B:GLU8 4.3 21.7 1.0 OG1 B:THR7 4.5 19.2 1.0 O B:HOH490 4.5 25.8 1.0 N B:ILE9 4.5 18.7 1.0 CA B:ILE9 4.7 20.0 1.0 O B:HOH583 4.7 30.1 1.0 CG1 B:ILE9 4.9 20.7 1.0

K.K.Mogodiniyai, T.Reichenbach, D.C.Kalyani, A.Jimenez Quero, M.M.Keskitalo, F.Vilaplana, C.Divne. Ferulic Acid Esterase Variant S114A From Lactobacillus Buchneri To Be Published.