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Chlorine in PDB 3roi: 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii

Enzymatic activity of 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii

All present enzymatic activity of 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii:
2.5.1.19;

Protein crystallography data

The structure of 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii, PDB code: 3roi was solved by S.H.Light, G.Minasov, S.N.Krishna, A.S.Halavaty, 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) 29.10 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.164, 116.408, 160.749, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 24.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii (pdb code 3roi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii, PDB code: 3roi:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3roi

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Chlorine binding site 1 out of 4 in the 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl439

b:37.7
occ:1.00
 ND2 A:ASN70 3.2 37.8 1.0
N A:MET45 3.5 31.1 1.0
N A:ASN417 3.5 35.5 1.0
CD A:PRO416 3.6 35.6 1.0
CD2 A:PHE415 3.7 36.7 1.0
CB A:ASN417 3.7 35.0 1.0
CG A:PRO416 3.8 37.1 1.0
CB A:MET45 3.8 33.2 1.0
CG A:PRO18 3.8 33.3 1.0
ND2 A:ASN417 3.8 37.4 1.0
CG A:ASN417 3.8 38.1 1.0
N A:PRO416 3.9 34.4 1.0
CD1 A:LEU44 3.9 29.0 1.0
CA A:MET45 4.1 31.6 1.0
CE2 A:PHE415 4.1 37.0 1.0
CA A:ASN417 4.2 34.8 1.0
C A:PHE415 4.2 34.8 1.0
CG A:ASN70 4.2 36.5 1.0
CA A:PHE415 4.3 34.5 1.0
OD1 A:ASN70 4.4 37.8 1.0
C A:PRO416 4.5 36.3 1.0
CG A:MET45 4.5 33.9 1.0
C A:LEU44 4.5 31.2 1.0
OD1 A:ASN417 4.5 40.6 1.0
CB A:PRO18 4.5 33.5 1.0
CA A:PRO416 4.5 35.0 1.0
C A:MET45 4.5 31.9 1.0
CA A:LEU44 4.6 29.9 1.0
CB A:PRO416 4.6 36.9 1.0
N A:GLY46 4.7 31.1 1.0
CG A:PHE415 4.8 34.6 1.0
CD A:PRO18 4.8 34.0 1.0
CG A:LEU44 4.9 32.3 1.0
O A:PHE415 4.9 34.7 1.0

Chlorine binding site 2 out of 4 in 3roi

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Chlorine binding site 2 out of 4 in the 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl439

b:42.5
occ:1.00
 ND2 B:ASN70 3.2 41.4 1.0
N B:ASN417 3.4 46.7 1.0
N B:MET45 3.5 35.7 1.0
CD B:PRO416 3.6 48.3 1.0
CD2 B:PHE415 3.6 48.2 1.0
CB B:ASN417 3.6 44.9 1.0
CG B:PRO416 3.7 51.8 1.0
CG B:ASN417 3.7 49.7 1.0
ND2 B:ASN417 3.8 51.1 1.0
CB B:MET45 3.8 37.2 1.0
N B:PRO416 3.9 47.9 1.0
CG B:PRO18 3.9 42.3 1.0
CD1 B:LEU44 4.0 31.0 1.0
CE2 B:PHE415 4.0 46.3 1.0
CA B:MET45 4.1 36.9 1.0
CA B:ASN417 4.1 45.3 1.0
C B:PHE415 4.2 46.1 1.0
OD1 B:ASN417 4.3 51.8 1.0
CG B:ASN70 4.3 41.9 1.0
CA B:PHE415 4.3 46.4 1.0
CG B:MET45 4.4 35.6 1.0
C B:PRO416 4.4 47.5 1.0
CA B:PRO416 4.5 48.4 1.0
CB B:PRO416 4.5 51.7 1.0
C B:LEU44 4.5 35.1 1.0
OD1 B:ASN70 4.6 45.0 1.0
CB B:PRO18 4.6 39.5 1.0
C B:MET45 4.6 36.8 1.0
CA B:LEU44 4.6 35.3 1.0
CG B:PHE415 4.8 45.4 1.0
N B:GLY46 4.9 37.7 1.0
O B:PHE415 4.9 45.5 1.0
CG B:LEU44 4.9 35.8 1.0

Chlorine binding site 3 out of 4 in 3roi

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Chlorine binding site 3 out of 4 in the 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl440

b:73.5
occ:0.50
 O B:ARG194 3.3 70.0 1.0
N B:HIS196 3.4 61.1 1.0
OG B:SER172 3.5 49.7 1.0
OG1 B:THR197 3.5 47.8 1.0
N B:THR197 3.6 50.4 1.0
C B:ARG194 3.8 70.8 1.0
NH2 B:ARG26 3.9 43.1 1.0
NE B:ARG26 3.9 41.2 1.0
CA B:HIS196 4.1 58.5 1.0
CB B:HIS196 4.1 59.2 1.0
CB B:ARG194 4.1 73.1 1.0
CZ B:ARG26 4.2 42.5 1.0
N B:ASP195 4.2 69.6 1.0
C B:ASP195 4.2 64.6 1.0
CB B:THR197 4.3 46.0 1.0
C B:HIS196 4.3 54.5 1.0
CA B:ASP195 4.4 67.3 1.0
CB B:ALA168 4.4 57.1 1.0
CA B:THR197 4.6 47.5 1.0
CA B:ARG194 4.6 72.8 1.0
OE2 B:GLU198 4.6 59.9 1.0
O B:ALA168 4.6 55.0 1.0
ND1 B:HIS196 4.8 65.0 1.0
CD B:ARG26 4.9 37.6 1.0
CB B:SER172 4.9 43.0 1.0
CG B:HIS196 4.9 63.1 1.0

Chlorine binding site 4 out of 4 in 3roi

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Chlorine binding site 4 out of 4 in the 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1- Carboxyvinyltransferase (Aroa) From Coxiella Burnetii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl441

b:96.3
occ:1.00
 OG B:SER167 3.5 60.2 1.0
N B:ALA168 3.6 57.3 1.0
CA B:SER167 3.7 57.7 1.0
CG B:GLN169 3.9 56.7 1.0
C B:SER167 4.0 56.6 1.0
CB B:SER167 4.0 58.3 1.0
CD B:GLN169 4.1 60.6 1.0
N B:GLN169 4.1 54.2 1.0
NE2 B:GLN169 4.3 62.5 1.0
CB B:GLN169 4.4 53.1 1.0
CA B:ALA168 4.6 56.4 1.0
OE1 B:GLN169 4.7 63.6 1.0
CB B:ALA168 4.7 57.1 1.0
O B:ALA166 4.8 59.9 1.0
NH1 B:ARG194 4.8 79.1 1.0
N B:SER167 4.9 57.7 1.0
C B:ALA168 4.9 54.7 1.0
NH2 B:ARG194 4.9 82.8 1.0
CA B:GLN169 5.0 52.0 1.0
O B:SER167 5.0 55.1 1.0

Reference:

S.H.Light, G.Minasov, S.N.Krishna, A.S.Halavaty, L.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.20 Angstrom Resolution Structure of 3-Phosphoshikimate 1-Carboxyvinyltransferase (Aroa) From Coxiella Burnetii To Be Published.
Page generated: Fri Jul 11 09:55:59 2025

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