Chlorine in PDB 7axy: Crystal Structure of A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile, PDB code: 7axy was solved by M.Gardonyi, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.24 / 1.63
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.517, 57.517, 159.445, 90, 90, 120
R / Rfree (%)	19.7 / 23

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile (pdb code 7axy). 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 A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile, PDB code: 7axy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile


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 A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:41.7 occ:1.00 N A:LEU121 3.2 32.0 1.0 C A:ALA119 3.3 31.2 1.0 CA A:ALA119 3.4 28.7 1.0 CB A:LEU121 3.5 31.4 1.0 N A:PRO120 3.6 29.2 1.0 N A:LYS122 3.7 28.6 1.0 CB A:ALA119 3.8 26.4 1.0 CD A:PRO120 3.8 30.6 1.0 O A:ALA119 3.8 26.9 1.0 CA A:LEU121 3.8 30.5 1.0 CG A:LEU121 4.1 36.9 1.0 CG A:LYS122 4.2 27.4 1.0 C A:LEU121 4.2 26.4 1.0 C A:PRO120 4.3 31.2 1.0 CA A:PRO120 4.5 28.3 1.0 CD1 A:LEU121 4.6 41.4 1.0 CG A:PRO120 4.6 33.8 1.0 CB A:LYS122 4.6 24.9 1.0 N A:ALA119 4.7 31.2 1.0 CA A:LYS122 4.8 25.4 1.0 CE A:LYS122 4.8 42.4 1.0 CD A:LYS122 4.8 32.8 1.0 O A:LYS118 4.8 32.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile


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 A Shortened Ipgc Variant in Complex with 3-Amino- 5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:34.6 occ:1.00 O B:HOH361 3.1 30.6 1.0 CA B:GLY9 3.2 36.7 1.0 N B:GLY9 3.2 38.3 1.0 N B:SER12 3.2 24.1 1.0 C B:GLY9 3.3 33.7 1.0 N B:ILE11 3.5 24.3 1.0 OG B:SER12 3.6 36.6 1.0 O B:GLY9 3.7 28.9 1.0 CB B:ILE11 3.7 29.1 1.0 N B:SER10 3.8 26.7 1.0 CB B:SER12 3.9 32.7 1.0 CA B:ILE11 3.9 23.2 1.0 C B:ILE11 4.0 24.2 1.0 CA B:SER12 4.2 29.6 1.0 C B:SER10 4.4 26.1 1.0 CG1 B:ILE11 4.6 27.4 1.0 CG2 B:ILE11 4.7 28.5 1.0 O B:HOH326 4.7 32.5 1.0 CA B:SER10 4.8 26.4 1.0 O B:HOH354 4.9 37.3 1.0

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of A Shortened Ipgc Variant in Complex with 3-Amino-5-(Pyrrolidin-1-Yl)-1H-Pyrazole-4-Carbonitrile To Be Published.