Atomistry » Chlorine » PDB 7ftu-7fwi » 7fu9
Atomistry »
  Chlorine »
    PDB 7ftu-7fwi »
      7fu9 »

Chlorine in PDB 7fu9: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One, PDB code: 7fu9 was solved by L.Leibrock, J.Benz, K.Groebke-Zbinden, D.Hunziker, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.12 / 1.67
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 47.656, 58.578, 126.008, 90, 90, 90
R / Rfree (%) 19.5 / 25.8

Other elements in 7fu9:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One 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 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One (pdb code 7fu9). 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 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One, PDB code: 7fu9:

Chlorine binding site 1 out of 1 in 7fu9

Go back to Chlorine Binding Sites List in 7fu9
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One


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 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:48.7
occ:1.00
 CL8 A:YOB601 0.0 48.7 1.0
C7 A:YOB601 1.7 36.0 1.0
C6 A:YOB601 2.7 40.1 1.0
C1 A:YOB601 2.7 37.3 1.0
C2 A:YOB601 3.1 30.3 1.0
CB A:ALA247 3.3 57.8 1.0
CD1 A:ILE485 3.6 46.3 1.0
CG A:ASN482 3.8 28.2 1.0
CG A:PHE488 3.8 37.2 1.0
CB A:PHE488 3.9 33.3 1.0
CB A:ILE485 3.9 37.7 1.0
ND2 A:ASN482 3.9 29.2 1.0
OD1 A:ASN482 4.0 28.2 1.0
CA A:ALA247 4.0 52.0 1.0
C5 A:YOB601 4.0 36.9 1.0
C3 A:YOB601 4.0 35.4 1.0
CG1 A:ILE485 4.0 42.3 1.0
CD2 A:PHE488 4.1 39.7 1.0
CB A:ASN482 4.2 25.9 1.0
CD1 A:PHE488 4.2 31.6 1.0
N15 A:YOB601 4.5 35.0 1.0
CG2 A:ILE485 4.5 35.2 1.0
C4 A:YOB601 4.5 43.5 1.0
N A:ALA247 4.7 52.1 1.0
CE2 A:PHE488 4.8 41.5 1.0
CE1 A:PHE488 4.9 40.2 1.0
O A:ILE485 5.0 28.7 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: Sun Jul 13 00:46:17 2025

Last articles

Mg in 4DV2
Mg in 4DV0
Mg in 4DV1
Mg in 4DUZ
Mg in 4DUY
Mg in 4DR7
Mg in 4DR6
Mg in 4DR5
Mg in 4DUX
Mg in 4DUW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy