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Chlorine in PDB 3slh: 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate

Enzymatic activity of 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate

All present enzymatic activity of 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate:
2.5.1.19;

Protein crystallography data

The structure of 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate, PDB code: 3slh was solved by S.H.Light, G.Minasov, E.V.Filippova, S.N.Krishna, L.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.64 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.252, 186.638, 95.794, 90.00, 91.51, 90.00
R / Rfree (%) 14.9 / 18.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate (pdb code 3slh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate, PDB code: 3slh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3slh

Go back to Chlorine Binding Sites List in 3slh
Chlorine binding site 1 out of 2 in the 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl440

b:39.2
occ:1.00
 O C:HOH991 2.7 37.1 1.0
N C:ARG127 3.3 26.7 1.0
NE C:ARG127 3.3 26.5 1.0
O C:HOH504 3.4 23.8 1.0
CB C:ARG127 3.5 24.1 1.0
CB C:PRO124 3.6 28.3 1.0
CG C:ARG127 3.8 25.5 1.0
CB C:LYS126 3.8 30.3 1.0
CA C:ARG127 3.9 26.0 1.0
N C:LYS126 4.0 27.5 1.0
C C:LYS126 4.1 27.9 1.0
CD C:ARG127 4.1 25.5 1.0
NH2 C:ARG127 4.1 29.5 1.0
CA C:LYS126 4.2 28.5 1.0
CZ C:ARG127 4.2 27.9 1.0
C C:PRO124 4.4 27.2 1.0
CG C:PRO124 4.4 29.6 1.0
O C:PRO124 4.5 26.2 1.0
CA C:PRO124 4.5 28.7 1.0
CG C:LYS126 4.6 33.8 1.0
N C:MET125 4.6 26.5 1.0
C C:MET125 4.8 27.4 1.0
O C:HOH985 4.9 32.4 1.0
CE C:MET165 5.0 34.3 1.0

Chlorine binding site 2 out of 2 in 3slh

Go back to Chlorine Binding Sites List in 3slh
Chlorine binding site 2 out of 2 in the 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl440

b:41.6
occ:1.00
 O D:HOH1418 2.4 37.8 1.0
N D:ARG127 3.3 24.9 1.0
O D:HOH459 3.3 25.3 1.0
NE D:ARG127 3.4 28.6 1.0
CB D:ARG127 3.5 24.1 1.0
CB D:PRO124 3.7 28.1 1.0
CG D:ARG127 3.8 23.9 1.0
CB D:LYS126 3.8 28.1 1.0
CA D:ARG127 3.9 23.9 1.0
N D:LYS126 4.0 26.0 1.0
NH2 D:ARG127 4.1 29.1 1.0
C D:LYS126 4.1 26.4 1.0
CD D:ARG127 4.2 26.3 1.0
CZ D:ARG127 4.2 29.9 1.0
CA D:LYS126 4.2 27.4 1.0
O D:HOH1419 4.5 31.3 0.5
CG D:PRO124 4.5 27.4 1.0
C D:PRO124 4.5 26.8 1.0
CA D:PRO124 4.7 27.3 1.0
O D:HOH580 4.7 30.4 1.0
CG D:LYS126 4.7 32.2 1.0
O D:PRO124 4.7 24.9 1.0
N D:MET125 4.7 25.6 1.0
CE D:MET165 4.8 35.8 1.0
C D:MET125 4.8 25.7 1.0

Reference:

S.H.Light, G.Minasov, E.V.Filippova, S.N.Krishna, L.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.70 Angstrom Resolution Structure of 3-Phosphoshikimate 1-Carboxyvinyltransferase(Aroa) From Coxiella Burnetii in Complex with Shikimate-3-Phosphate and Glyphosate To Be Published.
Page generated: Sat Dec 12 10:10:13 2020

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