Atomistry » Calcium » PDB 9dho-9eit » 9e9j
Atomistry »
  Calcium »
    PDB 9dho-9eit »
      9e9j »

Calcium in PDB 9e9j: L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant

Protein crystallography data

The structure of L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant, PDB code: 9e9j was solved by S.Wang, P.D.Jeffrey, D.Sorigue, T.K.Hyster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.33 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.002, 130.364, 164.195, 90, 90, 90
R / Rfree (%) 20.4 / 25.2

Calcium Binding Sites:

The binding sites of Calcium atom in the L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant (pdb code 9e9j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant, PDB code: 9e9j:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 9e9j

Go back to Calcium Binding Sites List in 9e9j
Calcium binding site 1 out of 4 in the L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:24.6
occ:1.00
 OE1 B:GLN232 2.5 18.3 1.0
O A:SER198 2.6 22.6 1.0
OG1 A:THR10 2.7 30.6 1.0
O A:THR10 2.7 27.2 1.0
O A:ALA203 2.8 17.6 1.0
O A:THR8 3.0 27.2 1.0
C A:SER198 3.5 23.7 1.0
O A:HOH535 3.5 25.4 1.0
CD B:GLN232 3.5 25.2 1.0
C A:THR10 3.7 26.7 1.0
N A:THR10 3.8 28.3 1.0
CB A:THR10 3.9 26.2 1.0
C A:THR8 3.9 27.9 1.0
CA A:SER198 3.9 18.1 1.0
C A:ALA203 3.9 20.1 1.0
CA A:THR10 4.0 23.9 1.0
NE2 B:GLN232 4.0 21.5 1.0
CB A:SER198 4.2 21.6 1.0
CA A:PRO204 4.3 21.9 1.0
O A:LLP199 4.3 22.3 0.9
C A:CYS202 4.4 20.1 1.0
CA A:THR8 4.4 26.3 1.0
N A:LLP199 4.5 19.9 0.9
O A:ASP7 4.5 23.7 1.0
CA A:CYS202 4.5 17.7 1.0
C A:VAL9 4.6 28.2 1.0
N A:PRO204 4.6 27.5 1.0
O A:CYS202 4.6 22.9 1.0
CB B:ARG231 4.7 22.2 1.0
N A:ALA203 4.7 27.6 1.0
O A:PRO204 4.7 26.6 1.0
CG B:GLN232 4.7 18.3 1.0
C A:PRO204 4.8 22.7 1.0
CA A:LLP199 4.8 18.5 0.9
N A:VAL9 4.8 22.1 1.0
N A:LYS11 4.9 27.7 1.0

Calcium binding site 2 out of 4 in 9e9j

Go back to Calcium Binding Sites List in 9e9j
Calcium binding site 2 out of 4 in the L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca401

b:24.3
occ:1.00
 OE1 A:GLN232 2.4 18.8 1.0
O B:THR10 2.7 22.2 1.0
O B:SER198 2.7 26.2 1.0
O B:ALA203 2.8 21.4 1.0
O B:THR8 3.0 25.0 1.0
OG1 B:THR10 3.0 31.9 1.0
CD A:GLN232 3.4 26.3 1.0
O B:HOH547 3.5 26.2 1.0
C B:SER198 3.6 28.6 1.0
C B:THR10 3.7 31.6 1.0
C B:ALA203 3.9 22.9 1.0
NE2 A:GLN232 3.9 21.2 1.0
C B:THR8 4.0 26.4 1.0
N B:THR10 4.0 24.1 1.0
CA B:SER198 4.1 17.5 1.0
CB B:THR10 4.1 33.2 1.0
CA B:THR10 4.2 31.0 1.0
CA B:PRO204 4.3 24.0 1.0
CB B:SER198 4.3 25.1 1.0
C B:CYS202 4.4 29.5 1.0
O B:CYS202 4.4 29.5 1.0
O B:PRO204 4.5 24.6 1.0
CG A:GLN232 4.5 16.4 1.0
CB A:ARG231 4.5 21.4 1.0
N B:PRO204 4.5 25.4 1.0
O B:LLP199 4.6 23.6 0.9
CA B:CYS202 4.6 27.9 1.0
C B:VAL9 4.6 26.0 1.0
CA B:THR8 4.6 25.9 1.0
C B:PRO204 4.6 23.5 1.0
N B:ALA203 4.7 31.3 1.0
O B:ASP7 4.7 24.0 1.0
N B:LLP199 4.7 17.6 0.9
N B:VAL9 4.9 22.6 1.0
N B:LYS11 4.9 28.1 1.0
CA B:ALA203 5.0 22.1 1.0

Calcium binding site 3 out of 4 in 9e9j

Go back to Calcium Binding Sites List in 9e9j
Calcium binding site 3 out of 4 in the L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca401

b:27.0
occ:1.00
 OE1 D:GLN232 2.5 24.2 1.0
O C:SER198 2.6 21.8 1.0
O C:THR10 2.7 25.6 1.0
O C:ALA203 2.9 20.6 1.0
OG1 C:THR10 2.9 27.7 1.0
O C:THR8 3.0 19.5 1.0
O C:HOH519 3.4 24.2 1.0
CD D:GLN232 3.4 23.4 1.0
C C:SER198 3.5 23.7 1.0
C C:THR10 3.7 28.6 1.0
NE2 D:GLN232 3.8 20.5 1.0
N C:THR10 3.9 25.9 1.0
C C:THR8 3.9 25.6 1.0
C C:ALA203 4.0 22.9 1.0
CA C:SER198 4.0 18.3 1.0
CB C:THR10 4.0 26.0 1.0
CA C:THR10 4.1 23.3 1.0
CB C:SER198 4.2 25.0 1.0
O C:LLP199 4.3 22.2 0.9
CA C:PRO204 4.4 20.7 1.0
C C:CYS202 4.4 24.6 1.0
C C:VAL9 4.5 21.6 1.0
O C:CYS202 4.5 19.5 1.0
O C:PRO204 4.5 21.9 1.0
N C:LLP199 4.6 19.7 0.9
CB D:ARG231 4.6 20.4 1.0
CA C:CYS202 4.6 21.9 1.0
CA C:THR8 4.6 24.3 1.0
CG D:GLN232 4.7 19.4 1.0
N C:PRO204 4.7 20.7 1.0
C C:PRO204 4.7 22.8 1.0
O C:ASP7 4.7 26.0 1.0
N C:ALA203 4.7 25.4 1.0
N C:VAL9 4.8 26.2 1.0
CA C:LLP199 4.8 22.0 0.9
N C:LYS11 4.8 29.2 1.0
CG D:ARG231 5.0 17.0 1.0
CA C:VAL9 5.0 23.1 1.0

Calcium binding site 4 out of 4 in 9e9j

Go back to Calcium Binding Sites List in 9e9j
Calcium binding site 4 out of 4 in the L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of L-Allo-Threonine Aldolase From Thermotoga Maritima, N308E-Y87A-R122G- P121D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca402

b:22.5
occ:1.00
 OE1 C:GLN232 2.5 21.5 1.0
O D:SER198 2.6 20.1 1.0
O D:THR10 2.7 25.0 1.0
OG1 D:THR10 2.7 26.3 1.0
O D:THR8 2.8 18.4 1.0
O D:ALA203 3.0 20.0 1.0
O D:HOH531 3.4 24.5 1.0
CD C:GLN232 3.4 23.7 1.0
C D:SER198 3.5 27.0 1.0
C D:THR10 3.6 27.3 1.0
N D:THR10 3.7 20.4 1.0
C D:THR8 3.8 24.8 1.0
CB D:THR10 3.9 23.8 1.0
NE2 C:GLN232 3.9 22.9 1.0
CA D:THR10 4.0 29.0 1.0
CA D:SER198 4.0 22.2 1.0
C D:ALA203 4.1 24.7 1.0
CB D:SER198 4.2 24.7 1.0
C D:VAL9 4.4 24.7 1.0
O D:LLP199 4.5 21.5 0.9
CA D:PRO204 4.5 17.4 1.0
C D:CYS202 4.5 25.1 1.0
CA D:THR8 4.5 19.6 1.0
O D:PRO204 4.5 20.7 1.0
CB C:ARG231 4.6 17.7 1.0
O D:CYS202 4.6 19.5 1.0
O D:ASP7 4.6 25.8 1.0
N D:LLP199 4.6 15.2 0.9
CA D:CYS202 4.6 21.7 1.0
CG C:GLN232 4.6 22.8 1.0
N D:VAL9 4.7 18.7 1.0
C D:PRO204 4.7 23.1 1.0
N D:PRO204 4.8 28.4 1.0
N D:LYS11 4.8 26.9 1.0
N D:ALA203 4.9 17.3 1.0
CA D:LLP199 4.9 19.1 0.9
CA D:VAL9 4.9 26.4 1.0
CG C:ARG231 4.9 23.6 1.0

Reference:

Y.Ouyang, S.Wang, D.Sorigue, T.K.Hyster. Nucleophilic Alpha-Functionalization of Benzyl Amines Using An Engineered Threonine Aldolase. J.Am.Chem.Soc. 2025.
ISSN: ESSN 1520-5126
PubMed: 40631863
DOI: 10.1021/JACS.5C04097
Page generated: Mon Aug 4 18:48:39 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy