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Fluorine in PDB 7fto: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid, PDB code: 7fto was solved by L.Leibrock, J.Benz, K.Groebke-Zbinden, C.Zhou, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.24 / 2.40
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 44.823, 59.254, 164.477, 90, 90, 90
R / Rfree (%) 22.5 / 27.2

Other elements in 7fto:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid (pdb code 7fto). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid, PDB code: 7fto:

Fluorine binding site 1 out of 1 in 7fto

Go back to Fluorine Binding Sites List in 7fto
Fluorine binding site 1 out of 1 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:65.7
occ:1.00
 F15 A:YM9602 0.0 65.7 1.0
C3 A:YM9602 1.3 64.9 1.0
C4 A:YM9602 2.3 65.8 1.0
C2 A:YM9602 2.3 65.1 1.0
C14 A:YM9602 2.8 61.8 1.0
N A:GLU383 2.9 59.1 1.0
C A:ILE382 3.0 65.3 1.0
CB A:ILE382 3.2 64.4 1.0
CA A:GLU383 3.3 59.3 1.0
CG2 A:ILE382 3.3 66.9 1.0
O A:ILE382 3.4 67.2 1.0
CZ A:PHE484 3.5 56.9 1.0
C1 A:YM9602 3.6 67.2 1.0
C5 A:YM9602 3.6 69.4 1.0
CA A:ILE382 3.6 60.9 1.0
CD1 A:ILE386 4.0 68.8 1.0
CE1 A:PHE484 4.0 57.1 1.0
C6 A:YM9602 4.1 71.7 1.0
CB A:GLU383 4.1 61.3 1.0
O A:PHE379 4.1 64.2 1.0
N A:ILE382 4.4 62.3 1.0
C A:GLU383 4.6 66.8 1.0
CG1 A:ILE382 4.6 64.7 1.0
CE2 A:PHE484 4.6 60.3 1.0
CG1 A:ILE386 4.7 59.6 1.0
C7 A:YM9602 4.8 66.8 1.0
CB A:ILE386 4.9 60.4 1.0
CG A:GLU383 4.9 64.4 1.0
O A:GLU383 4.9 66.9 1.0

Reference:

K.Groebke-Zbinden, A.Vandemeulebroucke, M.Hilbert, M.G.Rudolph. Crystal Structure of A Human Cyclic Gmp-Amp Synthase Complex To Be Published.
Page generated: Fri Aug 2 07:11:52 2024

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