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Chlorine in PDB 7ftp: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene, PDB code: 7ftp was solved by L.Leibrock, J.Benz, K.Groebke-Zbinden, Z.Zhang, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.98 / 2.48
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 129.96, 51.96, 60.49, 90, 90, 90
R / Rfree (%) 22.4 / 27.7

Other elements in 7ftp:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene (pdb code 7ftp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene, PDB code: 7ftp:

Chlorine binding site 1 out of 1 in 7ftp

Go back to Chlorine Binding Sites List in 7ftp
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (4-Chlorophenyl)-10,11-Dimethoxy-7-Methyl-2,4,6- Triazatricyclo[7.3.1.05,13]Trideca-1(12),2,4,7,9(13),10-Hexaene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:85.7
occ:1.00
CL23 A:YQ8602 0.0 85.7 1.0
C9 A:YQ8602 1.7 79.4 1.0
C11 A:YQ8602 2.7 77.1 1.0
C10 A:YQ8602 2.7 74.7 1.0
O A:LYS432 3.2 86.2 1.0
O A:ASP431 3.4 83.6 1.0
C A:LYS432 3.5 82.8 1.0
CA A:LYS432 3.8 79.5 1.0
C8 A:YQ8602 4.0 75.0 1.0
C12 A:YQ8602 4.0 74.5 1.0
CB A:SER434 4.0 70.7 1.0
O A:PHE433 4.2 70.6 1.0
N A:PHE433 4.2 74.0 1.0
C A:PHE433 4.3 71.6 1.0
C A:ASP431 4.4 83.4 1.0
C7 A:YQ8602 4.5 74.9 1.0
N A:SER434 4.6 68.3 1.0
OG A:SER434 4.6 76.1 1.0
N A:LYS432 4.6 80.1 1.0
CA A:PHE433 4.7 69.2 1.0
CA A:SER434 4.9 67.4 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: Mon Jul 29 20:57:10 2024

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