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Bromine in PDB 7fu1: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid, PDB code: 7fu1 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) 59.53 / 2.07
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 45.355, 59.53, 162.596, 90, 90, 90
R / Rfree (%) 22.3 / 27.6

Other elements in 7fu1:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid 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- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid (pdb code 7fu1). 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- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid, PDB code: 7fu1:

Bromine binding site 1 out of 1 in 7fu1

Go back to Bromine Binding Sites List in 7fu1
Bromine binding site 1 out of 1 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid


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- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br602

b:53.9
occ:1.00
 BR9 A:YU2602 0.0 53.9 1.0
C8 A:YU2602 1.9 46.9 1.0
C10 A:YU2602 2.8 30.1 1.0
C7 A:YU2602 2.8 35.6 1.0
CE2 A:PHE443 3.4 52.4 1.0
CD2 A:PHE443 3.6 51.2 1.0
CB A:LYS439 3.8 36.8 1.0
C6 A:YU2602 4.1 28.1 1.0
C3 A:YU2602 4.1 32.4 1.0
CE1 A:PHE484 4.2 39.6 1.0
CD A:LYS439 4.4 47.5 1.0
OE1 A:GLU383 4.4 56.9 1.0
CG A:GLU383 4.4 40.8 1.0
CB A:GLU383 4.4 44.9 1.0
C A:LYS439 4.5 35.2 1.0
N A:THR440 4.5 40.5 1.0
O A:HOH720 4.6 42.8 1.0
OG1 A:THR440 4.6 43.0 1.0
C4 A:YU2602 4.7 35.1 1.0
CZ A:PHE443 4.7 48.4 1.0
CG A:LYS439 4.7 42.0 1.0
CD A:GLU383 4.7 53.2 1.0
O A:LYS439 4.7 40.6 1.0
CA A:THR440 4.8 37.7 1.0
CA A:LYS439 4.8 42.0 1.0
CG A:PHE443 4.9 45.7 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 03:54:45 2024

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