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Chlorine in PDB 6r08: T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid

Protein crystallography data

The structure of T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid, PDB code: 6r08 was solved by J.K.Petrick, L.Muenzker, C.Schleberger, W.Jahnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.62 / 1.44
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 57.895, 57.895, 398.225, 90.00, 90.00, 120.00
R / Rfree (%) 19.1 / 21.3

Other elements in 6r08:

The structure of T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid (pdb code 6r08). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid, PDB code: 6r08:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6r08

Go back to Chlorine Binding Sites List in 6r08
Chlorine binding site 1 out of 2 in the T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:55.0
occ:0.61
CL1 A:GO1401 0.0 55.0 0.6
C2 A:GO1401 1.7 51.7 0.6
C12 A:GO1401 2.7 49.6 0.6
C3 A:GO1401 2.8 52.9 0.6
O A:TYR312 3.2 49.5 1.0
N4 A:GO1401 3.2 55.5 0.6
C A:TYR312 3.5 49.7 1.0
CZ A:PHE256 3.5 49.3 1.0
OE1 A:GLN318 3.7 62.2 1.0
CA A:SER313 3.7 50.7 1.0
N A:SER313 3.7 49.2 1.0
CE2 A:PHE256 3.7 50.7 1.0
CD A:GLN318 3.8 70.2 1.0
NE2 A:GLN318 3.8 64.6 1.0
C11 A:GO1401 4.0 50.0 0.6
CB A:LEU317 4.1 39.1 1.0
C8 A:GO1401 4.1 53.3 0.6
CB A:TYR312 4.2 40.3 1.0
N A:LEU317 4.3 40.4 1.0
OG A:SER313 4.3 66.8 1.0
CE1 A:PHE256 4.4 49.8 1.0
CA A:TYR312 4.4 41.2 1.0
N A:GLN318 4.5 42.3 1.0
C6 A:GO1401 4.5 57.5 0.6
CB A:SER313 4.6 55.3 1.0
CA A:LEU317 4.6 39.1 1.0
C9 A:GO1401 4.6 51.4 0.6
CG A:GLN318 4.7 55.2 1.0
CG A:LEU317 4.7 43.9 1.0
CD2 A:PHE256 4.7 48.2 1.0
C A:SER313 4.7 55.0 1.0
O A:SER313 4.8 55.5 1.0
C A:LEU317 4.9 43.4 1.0
CD1 A:LEU317 4.9 43.5 1.0

Chlorine binding site 2 out of 2 in 6r08

Go back to Chlorine Binding Sites List in 6r08
Chlorine binding site 2 out of 2 in the T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:50.9
occ:0.61
CL14 A:GO1401 0.0 50.9 0.6
C11 A:GO1401 1.7 50.0 0.6
C12 A:GO1401 2.7 49.6 0.6
C9 A:GO1401 2.7 51.4 0.6
CB A:PHE321 3.4 41.5 1.0
CG1 A:VAL252 3.6 39.4 1.0
CG A:PHE321 3.8 43.1 1.0
CG2 A:VAL252 3.8 39.2 1.0
C8 A:GO1401 4.0 53.3 0.6
CA A:GLN318 4.0 43.3 1.0
C2 A:GO1401 4.0 51.7 0.6
O A:HOH578 4.0 74.6 1.0
O A:LEU317 4.1 43.2 1.0
CD1 A:PHE321 4.3 44.9 1.0
N A:GLN318 4.3 42.3 1.0
C A:LEU317 4.4 43.4 1.0
CZ3 A:TRP276 4.4 37.3 1.0
CB A:VAL252 4.4 39.7 1.0
CD2 A:PHE321 4.4 44.2 1.0
C3 A:GO1401 4.5 52.9 0.6
CG A:GLN318 4.6 55.2 1.0
CH2 A:TRP276 4.8 38.1 1.0
CB A:GLN318 4.8 45.1 1.0
CA A:PHE321 4.8 39.2 1.0
CD2 A:LEU277 4.9 37.3 1.0
C A:GLN318 5.0 46.8 1.0
O A:GLN318 5.0 46.0 1.0

Reference:

J.K.Petrick, J.Wolfgang. T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H-Indole-2CARBOXYLIC Acid To Be Published.
Page generated: Mon Jul 29 14:18:02 2024

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