Calcium in PDB 4lnm: Structure of Escherichia Coli Threonine Aldolase in Complex with Serine

All present enzymatic activity of Structure of Escherichia Coli Threonine Aldolase in Complex with Serine:
4.1.2.5;

The structure of Structure of Escherichia Coli Threonine Aldolase in Complex with Serine, PDB code: 4lnm was solved by M.K.Safo, R.Contestabile, S.G.Remesh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.14 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	77.200, 101.050, 176.400, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 28.9

The binding sites of Calcium atom in the Structure of Escherichia Coli Threonine Aldolase in Complex with Serine (pdb code 4lnm). 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 Escherichia Coli Threonine Aldolase in Complex with Serine, PDB code: 4lnm:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of Escherichia Coli Threonine Aldolase in Complex with Serine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Escherichia Coli Threonine Aldolase in Complex with Serine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:39.9 occ:1.00 O A:THR201 2.7 27.3 1.0 O A:SER196 2.7 23.7 1.0 O A:THR10 2.8 19.2 1.0 O A:THR8 2.9 29.4 1.0 OG1 A:THR10 3.0 28.6 1.0 C A:THR8 3.6 33.8 1.0 C A:SER196 3.7 19.5 1.0 C A:THR10 3.7 30.8 1.0 N A:THR10 3.8 27.8 1.0 C A:THR201 3.8 29.5 1.0 CA A:THR10 4.0 29.9 1.0 CB A:THR10 4.0 33.6 1.0 CA A:SER196 4.1 19.0 1.0 CA A:THR8 4.2 24.1 1.0 CA A:PRO202 4.3 26.1 1.0 CB A:SER196 4.3 28.2 1.0 C A:VAL9 4.3 27.4 1.0 O A:ASP7 4.4 20.4 1.0 N A:VAL9 4.5 30.6 1.0 N A:PRO202 4.5 22.1 1.0 N A:THR201 4.6 24.9 1.0 O A:PRO202 4.6 30.1 1.0 C A:PRO202 4.6 25.5 1.0 O A:LYS197 4.7 33.5 1.0 C A:GLY200 4.7 21.2 1.0 N A:LYS197 4.8 28.8 1.0 CA A:VAL9 4.8 26.6 1.0 CA A:THR201 4.9 27.0 1.0 N A:ARG11 4.9 26.4 1.0 O A:VAL9 4.9 29.6 1.0

Calcium binding site 2 out of 3 in the Structure of Escherichia Coli Threonine Aldolase in Complex with Serine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Escherichia Coli Threonine Aldolase in Complex with Serine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:44.0 occ:1.00 OG B:SER97 2.7 21.4 1.0 OG A:SER97 2.8 17.4 1.0 O B:HOH625 2.9 26.8 1.0 O A:ALA93 3.2 28.3 1.0 O A:VAL94 3.2 22.8 1.0 O B:ALA93 3.2 30.8 1.0 O B:VAL94 3.5 20.8 1.0 CA A:SER97 3.5 24.6 1.0 CA B:SER97 3.6 12.9 1.0 N A:SER97 3.6 18.5 1.0 CB B:SER97 3.6 13.6 1.0 CB A:SER97 3.7 20.8 1.0 N B:SER97 3.7 9.3 1.0 C A:VAL94 4.0 23.7 1.0 C B:VAL94 4.1 19.8 1.0 O A:HOH575 4.3 25.3 1.0 C A:ALA93 4.4 24.8 1.0 C B:ALA93 4.4 23.3 1.0 O B:HOH521 4.5 22.4 1.0 CA A:VAL94 4.6 24.9 1.0 C A:LEU95 4.7 16.9 1.0 O A:LEU95 4.7 31.6 1.0 CA B:VAL94 4.7 17.9 1.0 C A:GLY96 4.7 19.2 1.0 O B:LEU95 4.8 20.8 1.0 C B:LEU95 4.8 23.9 1.0 N A:LEU95 4.8 20.4 1.0 C B:GLY96 4.8 14.4 1.0 N B:LEU95 4.9 22.0 1.0 N A:GLY96 5.0 24.8 1.0 C A:SER97 5.0 24.1 1.0 C B:SER97 5.0 18.3 1.0

Calcium binding site 3 out of 3 in the Structure of Escherichia Coli Threonine Aldolase in Complex with Serine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Escherichia Coli Threonine Aldolase in Complex with Serine within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:37.8 occ:1.00 O B:THR201 2.7 25.9 1.0 O B:THR10 2.8 36.5 1.0 OG1 B:THR10 2.9 33.8 1.0 O B:SER196 3.0 25.8 1.0 O B:THR8 3.1 34.1 1.0 C B:SER196 3.5 23.5 1.0 C B:THR10 3.7 36.0 1.0 CA B:SER196 3.8 24.7 1.0 C B:THR201 3.8 29.1 1.0 C B:THR8 3.9 35.8 1.0 CB B:SER196 3.9 24.3 1.0 N B:THR10 3.9 36.5 1.0 CB B:THR10 4.1 38.4 1.0 CA B:THR10 4.1 34.3 1.0 N B:THR201 4.3 21.9 1.0 C B:GLY200 4.4 27.4 1.0 C B:VAL9 4.4 33.7 1.0 O B:ASP7 4.5 23.4 1.0 CA B:THR8 4.5 33.8 1.0 O B:PRO202 4.5 36.2 1.0 CA B:PRO202 4.6 31.3 1.0 N B:LYS197 4.6 26.7 1.0 CA B:GLY200 4.6 25.5 1.0 N B:PRO202 4.6 32.3 1.0 O B:LYS197 4.7 37.5 1.0 N B:VAL9 4.7 35.8 1.0 C B:PRO202 4.7 34.6 1.0 CA B:THR201 4.8 23.5 1.0 CA B:LYS197 4.9 31.8 1.0 N B:ARG11 4.9 31.6 1.0 O B:GLY200 4.9 33.1 1.0 OG B:SER196 4.9 30.9 1.0 CA B:VAL9 4.9 38.3 1.0 O B:VAL9 5.0 32.1 1.0

M.L.Di Salvo, S.G.Remesh, M.Vivoli, M.S.Ghatge, A.Paiardini, S.D'aguanno, M.K.Safo, R.Contestabile. On the Catalytic Mechanism and Stereospecificity of Escherichia Coli L-Threonine Aldolase. Febs J. V. 281 129 2014.
ISSN: ISSN 1742-464X
PubMed: 24165453
DOI: 10.1111/FEBS.12581