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Chlorine in PDB 3ti2: 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae

Enzymatic activity of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae

All present enzymatic activity of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae:
2.5.1.19;

Protein crystallography data

The structure of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae, PDB code: 3ti2 was solved by S.H.Light, G.Minasov, 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) 29.81 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.758, 40.072, 133.861, 90.00, 90.33, 90.00
R / Rfree (%) 15.1 / 19.6

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae (pdb code 3ti2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae, PDB code: 3ti2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 3ti2

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Chlorine binding site 1 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:17.4
occ:1.00
 NH2 A:ARG27 3.0 32.8 1.0
OG A:SER171 3.1 15.2 1.0
O A:HOH341 3.1 22.8 1.0
OG1 A:THR175 3.3 15.5 1.0
NH1 A:ARG27 3.4 32.2 1.0
C A:SER171 3.5 12.2 1.0
N A:GLN172 3.5 12.3 1.0
CZ A:ARG27 3.6 33.5 1.0
CB A:SER171 3.6 13.0 1.0
CA A:GLN172 3.6 14.0 1.0
O A:SER171 3.6 10.5 1.0
CB A:THR175 3.9 11.9 1.0
CB A:TYR201 4.0 16.8 1.0
CG A:GLN172 4.1 24.9 1.0
CA A:SER171 4.2 11.7 1.0
NE2 A:GLN172 4.4 46.8 1.0
CD A:GLN172 4.4 33.3 1.0
O A:TYR201 4.4 12.4 1.0
CG2 A:THR175 4.4 15.2 1.0
CB A:GLN172 4.4 16.2 1.0
CD1 A:TYR201 4.5 26.4 1.0
OG1 A:THR205 4.6 15.2 1.0
CG A:TYR201 4.7 21.8 1.0
C A:TYR201 4.7 13.1 1.0
C A:GLN172 4.8 12.8 1.0
NE A:ARG27 4.8 25.8 1.0
O A:HOH760 4.9 39.2 1.0
CA A:TYR201 4.9 15.1 1.0

Chlorine binding site 2 out of 11 in 3ti2

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Chlorine binding site 2 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl244

b:24.4
occ:1.00
 O A:HOH760 2.7 39.2 1.0
O A:HOH285 2.9 22.6 1.0
O A:HOH279 3.1 32.3 1.0
NE A:ARG100 3.1 21.6 1.0
NH1 A:ARG100 3.3 19.8 1.0
NH2 A:ARG27 3.6 32.8 1.0
CZ A:ARG100 3.6 20.2 1.0
CB A:GLN172 3.7 16.2 1.0
CA A:THR97 3.8 11.8 1.0
CG A:GLN172 3.8 24.9 1.0
CB A:ARG100 4.1 13.2 1.0
CD A:ARG100 4.2 18.5 1.0
CD A:PRO101 4.2 11.2 1.0
O A:GLY96 4.2 11.7 1.0
CG2 A:THR97 4.2 15.0 1.0
NE A:ARG27 4.3 25.8 1.0
CB A:THR97 4.3 13.7 1.0
CZ A:ARG27 4.4 33.5 1.0
O A:THR97 4.4 10.3 1.0
CG A:PRO101 4.5 11.7 1.0
C A:THR97 4.5 11.8 1.0
CA A:GLN172 4.6 14.0 1.0
N A:THR97 4.6 13.1 1.0
CG A:ARG100 4.6 15.2 1.0
C A:GLY96 4.7 14.0 1.0
O A:GLN172 4.8 10.2 1.0
CB A:SER23 4.9 13.4 1.0
NH2 A:ARG100 4.9 22.2 1.0

Chlorine binding site 3 out of 11 in 3ti2

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Chlorine binding site 3 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl245

b:47.3
occ:1.00
 NH2 A:ARG124 3.1 25.6 1.0
NH1 A:ARG100 3.4 19.8 1.0
O A:HOH3 3.5 13.9 1.0
CZ A:ARG124 3.6 29.2 1.0
NH1 A:ARG124 3.6 28.2 1.0
CA A:GLY96 3.9 13.0 1.0
CG2 A:THR97 4.0 15.0 1.0
N A:THR97 4.0 13.1 1.0
N A:GLY96 4.1 12.7 1.0
C A:GLY96 4.3 14.0 1.0
CZ A:ARG100 4.4 20.2 1.0
NH2 A:ARG100 4.4 22.2 1.0
NE A:ARG124 4.7 25.1 1.0
CA A:THR97 4.9 11.8 1.0
O A:HOH363 4.9 29.8 1.0
CB A:THR97 4.9 13.7 1.0

Chlorine binding site 4 out of 11 in 3ti2

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Chlorine binding site 4 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1

b:44.4
occ:1.00
 NH2 B:ARG124 3.2 19.9 1.0
NH1 B:ARG100 3.3 21.4 1.0
O B:HOH514 3.5 14.5 1.0
NH1 B:ARG124 3.7 22.5 1.0
CZ B:ARG124 3.7 22.4 1.0
N B:THR97 3.9 11.0 1.0
CA B:GLY96 3.9 12.4 1.0
CG2 B:THR97 4.0 13.9 1.0
N B:GLY96 4.0 12.0 1.0
C B:GLY96 4.2 11.8 1.0
NH2 B:ARG100 4.2 24.6 1.0
CZ B:ARG100 4.2 22.6 1.0
O B:HOH772 4.2 22.3 0.5
NE B:ARG124 4.7 19.2 1.0
CA B:THR97 4.8 11.5 1.0
CB B:THR97 4.9 12.8 1.0

Chlorine binding site 5 out of 11 in 3ti2

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Chlorine binding site 5 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl244

b:27.3
occ:1.00
 O B:HOH567 3.0 20.8 1.0
NE B:ARG100 3.1 22.2 1.0
NH2 B:ARG27 3.1 18.8 0.7
O B:HOH586 3.2 25.4 1.0
NH1 B:ARG100 3.2 21.4 1.0
CG B:GLN172 3.6 21.7 1.0
CZ B:ARG100 3.6 22.6 1.0
CB B:GLN172 3.7 16.2 1.0
CA B:THR97 3.8 11.5 1.0
NE B:ARG27 3.8 18.2 0.7
CZ B:ARG27 3.9 21.2 0.7
CB B:ARG100 4.1 13.1 1.0
CG2 B:THR97 4.2 13.9 1.0
O B:GLY96 4.2 11.7 1.0
CD B:ARG100 4.2 17.6 1.0
CD B:PRO101 4.3 10.9 1.0
CB B:THR97 4.4 12.8 1.0
O B:THR97 4.5 11.1 1.0
C B:THR97 4.6 10.2 1.0
CG B:PRO101 4.6 10.6 1.0
CG B:ARG100 4.6 13.9 1.0
N B:THR97 4.6 11.0 1.0
CA B:GLN172 4.6 13.6 1.0
C B:GLY96 4.7 11.8 1.0
O B:GLN172 4.8 10.3 1.0
NH2 B:ARG100 4.9 24.6 1.0

Chlorine binding site 6 out of 11 in 3ti2

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Chlorine binding site 6 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1

b:24.4
occ:1.00
 NE C:ARG100 3.0 23.2 1.0
O C:HOH282 3.0 26.4 1.0
O C:HOH259 3.1 19.3 1.0
NH2 C:ARG27 3.3 23.0 1.0
NH1 C:ARG100 3.3 17.3 1.0
CZ C:ARG100 3.6 19.0 1.0
CG C:GLN172 3.7 23.4 1.0
CB C:GLN172 3.7 16.3 1.0
CA C:THR97 3.7 14.0 1.0
CD C:ARG100 4.1 19.2 1.0
CB C:ARG100 4.1 12.8 1.0
NE C:ARG27 4.1 23.1 1.0
CZ C:ARG27 4.2 27.4 1.0
O C:GLY96 4.2 11.7 1.0
CG2 C:THR97 4.2 17.8 1.0
CD C:PRO101 4.2 12.8 1.0
CB C:THR97 4.3 13.4 1.0
O C:THR97 4.4 12.8 1.0
N C:THR97 4.5 12.0 1.0
C C:THR97 4.5 11.8 1.0
CG C:PRO101 4.5 15.6 1.0
CA C:GLN172 4.6 14.1 1.0
CG C:ARG100 4.6 15.3 1.0
C C:GLY96 4.7 12.5 1.0
O C:GLN172 4.7 11.8 1.0
CB C:SER23 4.9 14.9 1.0
NH2 C:ARG100 4.9 25.0 1.0

Chlorine binding site 7 out of 11 in 3ti2

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Chlorine binding site 7 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl244

b:25.3
occ:1.00
 OG C:SER171 3.1 15.0 1.0
NH2 C:ARG27 3.1 23.0 1.0
NH1 C:ARG27 3.1 25.5 1.0
O C:HOH285 3.2 23.1 1.0
OG1 C:THR175 3.3 17.4 1.0
C C:SER171 3.5 12.7 1.0
N C:GLN172 3.5 12.7 1.0
O C:SER171 3.5 13.0 1.0
CZ C:ARG27 3.5 27.4 1.0
CB C:SER171 3.6 12.5 1.0
CA C:GLN172 3.6 14.1 1.0
CB C:THR175 3.9 14.5 1.0
CB C:TYR201 4.0 18.2 1.0
CA C:SER171 4.2 13.0 1.0
CG C:GLN172 4.2 23.4 1.0
CG2 C:THR175 4.4 14.9 1.0
CB C:GLN172 4.5 16.3 1.0
O C:TYR201 4.6 15.2 1.0
CD1 C:TYR201 4.7 30.1 1.0
OG1 C:THR205 4.7 18.3 1.0
CG C:TYR201 4.7 22.4 1.0
C C:GLN172 4.8 12.4 1.0
C C:TYR201 4.8 16.7 1.0
NE C:ARG27 4.8 23.1 1.0
CD C:GLN172 4.8 30.8 1.0
CA C:TYR201 5.0 17.7 1.0

Chlorine binding site 8 out of 11 in 3ti2

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Chlorine binding site 8 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl245

b:41.0
occ:1.00
 NH2 C:ARG124 3.0 28.1 1.0
NH1 C:ARG100 3.1 17.3 1.0
O C:HOH454 3.2 52.9 1.0
O C:HOH251 3.4 17.6 1.0
CZ C:ARG124 3.5 27.0 1.0
NH1 C:ARG124 3.6 25.9 1.0
CA C:GLY96 3.9 12.7 1.0
N C:THR97 3.9 12.0 1.0
CG2 C:THR97 3.9 17.8 1.0
CZ C:ARG100 4.1 19.0 1.0
N C:GLY96 4.1 12.7 1.0
NH2 C:ARG100 4.1 25.0 1.0
C C:GLY96 4.2 12.5 1.0
NE C:ARG124 4.5 26.2 1.0
CA C:THR97 4.8 14.0 1.0
CB C:THR97 4.9 13.4 1.0

Chlorine binding site 9 out of 11 in 3ti2

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Chlorine binding site 9 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1

b:21.1
occ:1.00
 NH2 D:ARG27 3.1 23.5 1.0
OG D:SER171 3.1 14.6 1.0
O D:HOH283 3.1 21.1 1.0
NH1 D:ARG27 3.2 26.3 1.0
OG1 D:THR175 3.3 12.6 1.0
C D:SER171 3.6 13.0 1.0
CZ D:ARG27 3.6 30.3 1.0
CB D:SER171 3.6 14.0 1.0
N D:GLN172 3.7 13.3 1.0
O D:SER171 3.7 12.7 1.0
CA D:GLN172 3.7 13.6 1.0
CB D:TYR201 3.9 20.8 1.0
CB D:THR175 3.9 11.7 1.0
CG D:GLN172 4.1 19.1 1.0
CA D:SER171 4.2 12.8 1.0
CB D:GLN172 4.5 17.0 1.0
O D:TYR201 4.5 19.4 1.0
CG2 D:THR175 4.5 11.3 1.0
CG D:TYR201 4.6 29.1 1.0
CD D:GLN172 4.6 28.6 1.0
CD1 D:TYR201 4.6 37.3 1.0
OG1 D:THR205 4.6 20.4 1.0
C D:TYR201 4.7 17.3 1.0
CA D:TYR201 4.8 18.9 1.0
NE D:ARG27 4.9 25.6 1.0
C D:GLN172 4.9 13.0 1.0

Chlorine binding site 10 out of 11 in 3ti2

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Chlorine binding site 10 out of 11 in the 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3- Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl244

b:31.3
occ:1.00
 NE D:ARG100 2.8 21.5 1.0
O D:HOH260 3.0 19.9 1.0
NH1 D:ARG100 3.2 24.2 1.0
O D:HOH299 3.2 24.6 1.0
CZ D:ARG100 3.4 21.7 1.0
NH2 D:ARG27 3.5 23.5 1.0
CG D:GLN172 3.6 19.1 1.0
CB D:GLN172 3.7 17.0 1.0
CA D:THR97 3.7 12.2 1.0
CD D:ARG100 4.0 18.2 1.0
O D:GLY96 4.0 12.5 1.0
CG2 D:THR97 4.1 12.8 1.0
CB D:ARG100 4.2 14.2 1.0
CB D:THR97 4.3 12.3 1.0
CD D:PRO101 4.4 10.9 1.0
N D:THR97 4.4 13.4 1.0
CZ D:ARG27 4.5 30.3 1.0
NE D:ARG27 4.5 25.6 1.0
C D:GLY96 4.5 13.6 1.0
C D:THR97 4.5 12.0 1.0
O D:THR97 4.5 12.1 1.0
CG D:ARG100 4.5 16.8 1.0
CA D:GLN172 4.6 13.6 1.0
CG D:PRO101 4.7 12.1 1.0
NH2 D:ARG100 4.8 27.4 1.0
O D:GLN172 4.8 12.2 1.0

Reference:

S.H.Light, G.Minasov, A.S.Halavaty, L.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.90 Angstrom Resolution Crystal Structure of N-Terminal Domain 3-Phosphoshikimate 1-Carboxyvinyltransferase From Vibrio Cholerae To Be Published.
Page generated: Sat Dec 12 10:12:15 2020

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