Atomistry » Chlorine » PDB 7ftq-7fwh » 7fud
Atomistry »
  Chlorine »
    PDB 7ftq-7fwh »
      7fud »

Chlorine in PDB 7fud: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-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 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-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 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-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 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One, PDB code: 7fud 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) 53.47 / 2.03
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 218.34, 45.44, 88.96, 90, 113.74, 90
R / Rfree (%) 19.4 / 24.9

Other elements in 7fud:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One (pdb code 7fud). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One, PDB code: 7fud:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7fud

Go back to Chlorine Binding Sites List in 7fud
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-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 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:77.5
occ:1.00
 CL20 A:YP8602 0.0 77.5 1.0
C19 A:YP8602 1.7 61.4 1.0
C18 A:YP8602 2.7 45.8 1.0
C1 A:YP8602 2.7 59.0 1.0
C2 A:YP8602 3.0 50.4 1.0
CB A:ALA247 3.1 51.2 1.0
CD1 A:ILE485 3.2 52.6 1.0
CG A:PHE488 3.6 42.1 1.0
CB A:PHE488 3.7 35.5 1.0
CG A:ASN482 3.8 43.8 1.0
CB A:ILE485 3.8 47.0 1.0
ND2 A:ASN482 3.9 39.6 1.0
CD2 A:PHE488 3.9 52.1 1.0
CG1 A:ILE485 3.9 44.0 1.0
C17 A:YP8602 4.0 49.9 1.0
C15 A:YP8602 4.0 50.5 1.0
OD1 A:ASN482 4.1 52.0 1.0
CD1 A:PHE488 4.1 46.9 1.0
CB A:ASN482 4.2 38.8 1.0
CA A:ALA247 4.3 58.3 1.0
CG2 A:ILE485 4.4 45.5 1.0
N3 A:YP8602 4.4 45.1 1.0
C16 A:YP8602 4.5 49.3 1.0
CE2 A:PHE488 4.5 54.2 1.0
CE1 A:PHE488 4.8 52.6 1.0
CZ A:PHE488 5.0 39.9 1.0
N A:ALA247 5.0 57.2 1.0
O A:ILE485 5.0 43.1 1.0

Chlorine binding site 2 out of 2 in 7fud

Go back to Chlorine Binding Sites List in 7fud
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-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 2 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:82.7
occ:1.00
 CL20 B:YP8602 0.0 82.7 1.0
C19 B:YP8602 1.7 65.0 1.0
C18 B:YP8602 2.7 50.9 1.0
C1 B:YP8602 2.7 59.2 1.0
C2 B:YP8602 3.0 51.2 1.0
CB B:ALA247 3.0 49.5 1.0
CG B:PHE488 3.6 45.9 1.0
CD1 B:ILE485 3.7 65.3 1.0
CD2 B:PHE488 3.9 47.2 1.0
CB B:PHE488 3.9 42.1 1.0
CD1 B:PHE488 3.9 54.3 1.0
C17 B:YP8602 4.0 56.6 1.0
ND2 B:ASN482 4.0 36.4 1.0
CG B:ASN482 4.0 46.0 1.0
C15 B:YP8602 4.0 61.1 1.0
CB B:ILE485 4.1 51.1 1.0
CG1 B:ILE485 4.1 51.1 1.0
CA B:ALA247 4.2 60.3 1.0
OD1 B:ASN482 4.3 46.2 1.0
CB B:ASN482 4.4 40.5 1.0
CE2 B:PHE488 4.4 45.9 1.0
CE1 B:PHE488 4.4 60.2 1.0
N3 B:YP8602 4.4 42.0 1.0
CG2 B:ILE485 4.5 48.6 1.0
C16 B:YP8602 4.5 61.1 1.0
CZ B:PHE488 4.7 52.7 1.0
N B:ALA247 4.9 69.0 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: Mon Jul 29 20:58:34 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy