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Fluorine in PDB 7fu2: 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: 7fu2 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) 47.42 / 2.30
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 43.142, 58.503, 161.989, 90, 90, 90
R / Rfree (%) 24.9 / 28.7

Other elements in 7fu2:

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:

Zinc (Zn) 1 atom
Chlorine (Cl) 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 7fu2). 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: 7fu2:

Fluorine binding site 1 out of 1 in 7fu2

Go back to Fluorine Binding Sites List in 7fu2
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:F601

b:46.3
occ:1.00
 F15 A:YM9601 0.0 46.3 1.0
C3 A:YM9601 1.3 44.3 1.0
C4 A:YM9601 2.3 43.1 1.0
C2 A:YM9601 2.3 41.9 1.0
C14 A:YM9601 2.8 37.9 1.0
N A:GLU383 3.1 42.5 1.0
CG2 A:ILE382 3.2 44.6 1.0
C A:ILE382 3.2 47.5 1.0
CZ A:PHE484 3.3 46.3 1.0
CB A:ILE382 3.3 44.8 1.0
CA A:GLU383 3.4 41.9 1.0
O A:ILE382 3.5 49.2 1.0
C1 A:YM9601 3.6 43.0 1.0
C5 A:YM9601 3.6 45.7 1.0
CA A:ILE382 3.8 41.8 1.0
CE1 A:PHE484 3.8 46.9 1.0
CD1 A:ILE386 3.9 42.6 1.0
C6 A:YM9601 4.1 44.6 1.0
O A:PHE379 4.1 48.1 1.0
CB A:GLU383 4.2 42.5 1.0
CE2 A:PHE484 4.4 48.3 1.0
N A:ILE382 4.6 41.5 1.0
C A:GLU383 4.7 47.8 1.0
CG1 A:ILE386 4.7 41.1 1.0
CG1 A:ILE382 4.7 44.6 1.0
C7 A:YM9601 4.8 48.1 1.0
CG A:GLU383 4.8 50.4 1.0
CB A:ILE386 4.9 42.0 1.0
CD1 A:LEU338 4.9 46.4 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 07:12:45 2024

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