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Fluorine in PDB 7fts: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide, PDB code: 7fts was solved by L.Leibrock, J.Benz, K.Groebke-Zbinden, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.11 / 2.22
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 45.676, 59.423, 163.946, 90, 90, 90
R / Rfree (%) 21.9 / 28.1

Other elements in 7fts:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide also contains other interesting chemical elements:

Bromine (Br) 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 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide (pdb code 7fts). 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 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide, PDB code: 7fts:

Fluorine binding site 1 out of 1 in 7fts

Go back to Fluorine Binding Sites List in 7fts
Fluorine binding site 1 out of 1 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide


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 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:70.1
occ:1.00
 F19 A:YPU602 0.0 70.1 1.0
C8 A:YPU602 1.4 63.2 1.0
C7 A:YPU602 2.3 63.0 1.0
C9 A:YPU602 2.4 55.4 1.0
C6 A:YPU602 2.8 57.1 1.0
CB A:ALA247 3.3 54.4 1.0
CD1 A:ILE485 3.5 45.2 1.0
C12 A:YPU602 3.6 52.9 1.0
C10 A:YPU602 3.6 59.1 1.0
ND2 A:ASN482 3.7 42.9 1.0
C11 A:YPU602 4.1 60.5 1.0
CD2 A:PHE488 4.2 54.4 1.0
N5 A:YPU602 4.2 47.6 1.0
CE2 A:PHE488 4.3 63.6 1.0
O A:ALA247 4.3 60.6 1.0
CA A:ALA247 4.4 57.1 1.0
CG A:ASN482 4.4 47.9 1.0
N A:LEU377 4.5 55.8 1.0
O A:LEU377 4.5 59.6 1.0
CG1 A:ILE485 4.6 49.6 1.0
O20 A:YPU602 4.7 48.2 1.0
CB A:LEU377 4.8 60.2 1.0
OD1 A:ASN482 4.8 59.2 1.0
CB A:ARG376 4.8 46.6 1.0
OH A:TYR436 4.8 65.8 1.0
C A:ALA247 4.9 69.6 1.0
C4 A:YPU602 5.0 42.0 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 07:12:05 2024

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