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Bromine in PDB 7ftw: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide, PDB code: 7ftw 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) 59.27 / 2.21
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 45.294, 59.266, 162.222, 90, 90, 90
R / Rfree (%) 21.2 / 26.1

Other elements in 7ftw:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide (pdb code 7ftw). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide, PDB code: 7ftw:

Bromine binding site 1 out of 1 in 7ftw

Go back to Bromine Binding Sites List in 7ftw
Bromine binding site 1 out of 1 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br602

b:69.1
occ:1.00
 BR22 A:YPL602 0.0 69.1 1.0
C21 A:YPL602 1.9 59.8 1.0
C23 A:YPL602 2.8 51.6 1.0
C20 A:YPL602 2.8 46.2 1.0
CE2 A:PHE443 3.4 58.0 1.0
CD2 A:PHE443 3.6 54.6 1.0
CB A:LYS439 3.8 42.8 1.0
C24 A:YPL602 4.1 49.5 1.0
C3 A:YPL602 4.2 46.8 1.0
CE1 A:PHE484 4.2 43.7 1.0
OG1 A:THR440 4.3 52.2 1.0
C A:LYS439 4.3 43.6 1.0
N A:THR440 4.4 45.9 1.0
CD A:LYS439 4.4 53.5 1.0
O A:LYS439 4.5 52.6 1.0
O A:HOH705 4.5 75.5 1.0
CA A:THR440 4.6 44.9 1.0
CB A:GLU383 4.6 52.8 1.0
C2 A:YPL602 4.7 52.5 1.0
CZ A:PHE443 4.7 57.7 1.0
CA A:LYS439 4.7 48.8 1.0
OE2 A:GLU383 4.7 60.5 1.0
CG A:GLU383 4.7 66.1 1.0
CG A:LYS439 4.7 47.4 1.0
CD A:GLU383 4.9 68.5 1.0
CG A:PHE443 4.9 44.4 1.0
CZ A:PHE484 5.0 44.1 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: Thu Jul 11 03:54:32 2024

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