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Chlorine in PDB 3nvs: 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate

Enzymatic activity of 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate

All present enzymatic activity of 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate:
2.5.1.19;

Protein crystallography data

The structure of 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate, PDB code: 3nvs was solved by G.Minasov, S.H.Light, A.Halavaty, G.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) 14.89 / 1.02
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.866, 87.484, 49.994, 90.00, 105.26, 90.00
R / Rfree (%) 11.4 / 13.8

Other elements in 3nvs:

The structure of 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate (pdb code 3nvs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate, PDB code: 3nvs:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3nvs

Go back to Chlorine Binding Sites List in 3nvs
Chlorine binding site 1 out of 4 in the 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl433

b:9.6
occ:1.00
 O A:HOH1136 3.1 17.9 0.7
O A:HOH1136 3.2 19.9 0.3
NE A:ARG354 3.3 8.6 1.0
N A:VAL360 3.4 7.8 1.0
O A:VAL360 3.7 8.9 1.0
CD A:ARG354 3.7 9.0 1.0
CA A:THR359 3.8 8.5 1.0
CG A:ARG354 4.1 7.7 1.0
C A:THR359 4.1 8.8 1.0
CB A:THR359 4.2 10.4 1.0
CZ A:ARG354 4.2 9.5 1.0
CG2 A:THR359 4.3 11.8 1.0
CA A:VAL360 4.4 8.1 1.0
NH2 A:ARG354 4.4 10.6 1.0
C A:VAL360 4.4 7.8 1.0
O A:ALA358 4.7 8.4 1.0
CB A:VAL360 4.9 8.4 1.0

Chlorine binding site 2 out of 4 in 3nvs

Go back to Chlorine Binding Sites List in 3nvs
Chlorine binding site 2 out of 4 in the 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl434

b:14.2
occ:0.75
 NZ A:LYS420 3.0 24.0 1.0
NE2 A:GLN423 3.2 8.0 0.3
N A:ASN17 3.2 9.5 0.3
N A:ASN17 3.2 9.3 0.7
O A:HOH647 3.4 24.1 0.7
OE1 A:GLN423 3.8 25.1 0.7
CB A:ASN17 3.9 12.0 0.7
CA A:VAL16 3.9 10.0 1.0
CB A:ASN17 3.9 10.7 0.3
ND2 A:ASN17 3.9 14.8 0.3
CE A:LYS420 3.9 18.8 1.0
CG A:ASN17 4.0 12.5 0.3
O A:HOH697 4.1 31.8 1.0
C A:VAL16 4.1 9.3 1.0
O A:GLU15 4.1 15.1 1.0
CD A:GLN423 4.1 9.9 0.3
CA A:ASN17 4.1 9.6 0.3
OE1 A:GLN423 4.1 12.2 0.3
CA A:ASN17 4.1 9.8 0.7
O A:HOH508 4.1 37.8 1.0
CD A:LYS420 4.2 14.3 1.0
O A:ASN17 4.3 9.9 0.3
O A:ASN17 4.4 10.3 0.7
CG1 A:VAL16 4.6 12.0 1.0
OD1 A:ASN17 4.7 14.2 0.3
C A:ASN17 4.7 9.0 0.3
C A:ASN17 4.7 8.7 0.7
CB A:VAL16 4.8 10.7 1.0
N A:VAL16 4.8 11.0 1.0
C A:GLU15 4.8 11.7 1.0
CD A:GLN423 4.9 23.0 0.7

Chlorine binding site 3 out of 4 in 3nvs

Go back to Chlorine Binding Sites List in 3nvs
Chlorine binding site 3 out of 4 in the 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl435

b:16.6
occ:0.75
 O A:HOH579 2.9 27.3 1.0
N A:ALA379 3.2 7.3 1.0
CA A:ALA378 3.6 7.7 1.0
CB A:ALA378 3.9 9.7 1.0
C A:ALA378 3.9 6.5 1.0
CB A:ALA379 4.1 8.8 1.0
CA A:ALA379 4.2 7.3 1.0
O A:ALA379 4.3 7.7 1.0
CE A:LYS355 4.5 8.8 1.0
C A:ALA379 4.6 7.3 1.0
O A:HIS377 4.7 8.6 1.0
O A:HOH948 4.7 20.1 1.0
O A:HOH858 4.8 12.1 1.0
N A:ALA378 4.9 7.0 1.0
NZ A:LYS355 5.0 8.3 1.0

Chlorine binding site 4 out of 4 in 3nvs

Go back to Chlorine Binding Sites List in 3nvs
Chlorine binding site 4 out of 4 in the 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl436

b:16.1
occ:0.75
 N A:GLU362 3.0 9.3 1.0
O A:HOH973 3.3 23.8 1.0
NH2 A:ARG354 3.4 10.6 1.0
O A:HOH880 3.8 16.5 1.0
CA A:GLU361 3.8 9.1 1.0
O A:GLU362 3.8 12.3 1.0
CB A:GLU362 3.8 9.9 1.0
CA A:GLU362 3.9 9.2 1.0
C A:GLU361 3.9 9.0 1.0
O A:VAL360 3.9 8.9 1.0
C A:GLU362 4.2 9.4 1.0
CG A:GLU361 4.5 11.3 1.0
CZ A:ARG354 4.7 9.5 1.0
CB A:GLU361 4.7 9.7 1.0
C A:VAL360 4.7 7.8 1.0
N A:GLU361 4.8 7.9 1.0

Reference:

G.Minasov, S.H.Light, A.Halavaty, G.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae in Complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate To Be Published.
Page generated: Sun Jul 21 01:16:41 2024

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