Chlorine in PDB 7pef: Crystal Structure of Ipgc in Complex with Dmso

The structure of Crystal Structure of Ipgc in Complex with Dmso, PDB code: 7pef 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)	47.52 / 1.54
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.477, 57.477, 159.515, 90, 90, 120
R / Rfree (%)	16.1 / 18.4

The structure of Crystal Structure of Ipgc in Complex with Dmso also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Ipgc in Complex with Dmso (pdb code 7pef). 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 Ipgc in Complex with Dmso, PDB code: 7pef:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ipgc in Complex with Dmso


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 Ipgc in Complex with Dmso within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:32.3 occ:1.00 H A:LEU121 2.5 25.9 1.0 H A:LYS122 2.7 27.6 1.0 HB2 A:LEU121 2.7 26.5 1.0 HA A:ALA119 2.8 26.4 1.0 HG3 A:LYS122 3.2 28.4 1.0 HB2 A:ALA119 3.2 24.9 1.0 N A:LEU121 3.4 25.2 1.0 HD2 A:PRO120 3.4 27.0 1.0 CA A:ALA119 3.4 25.7 1.0 C A:ALA119 3.4 24.8 1.0 CB A:LEU121 3.5 26.4 1.0 HG A:LEU121 3.6 27.8 1.0 N A:LYS122 3.6 27.1 1.0 N A:PRO120 3.7 25.2 1.0 CB A:ALA119 3.7 25.0 1.0 CA A:LEU121 3.8 25.2 1.0 HD11 A:LEU121 3.9 28.9 1.0 O A:ALA119 3.9 23.7 1.0 HE3 A:LYS122 3.9 30.7 1.0 CD A:PRO120 4.0 26.4 1.0 CG A:LEU121 4.0 27.6 1.0 HB1 A:ALA119 4.1 25.7 1.0 CG A:LYS122 4.1 27.6 1.0 C A:LEU121 4.2 24.4 1.0 HG2 A:PRO120 4.3 27.0 1.0 HB3 A:LEU121 4.3 26.3 1.0 HB2 A:LYS122 4.3 25.5 1.0 C A:PRO120 4.4 24.5 1.0 CD1 A:LEU121 4.5 28.8 1.0 HB3 A:ALA119 4.6 24.4 1.0 CB A:LYS122 4.6 25.7 1.0 CA A:PRO120 4.6 24.8 1.0 CG A:PRO120 4.7 26.8 1.0 CE A:LYS122 4.7 30.0 1.0 HD2 A:LYS122 4.7 27.1 1.0 CA A:LYS122 4.7 25.9 1.0 HG2 A:LYS122 4.7 28.2 1.0 CD A:LYS122 4.8 27.8 1.0 HD3 A:PRO120 4.8 26.7 1.0 HA A:LEU121 4.8 25.1 1.0 HZ1 A:LYS122 4.8 29.5 1.0 N A:ALA119 4.8 26.2 1.0 O A:LYS118 5.0 28.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ipgc in Complex with Dmso


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 Ipgc in Complex with Dmso within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:28.3 occ:1.00 H B:SER12 2.2 24.7 0.5 H B:SER12 2.3 24.6 0.5 H B:ILE11 2.7 25.2 1.0 HB B:ILE11 2.8 25.4 1.0 HA3 B:GLY9 2.8 28.8 1.0 H3 B:GLY9 2.9 28.9 1.0 O B:HOH369 3.0 29.5 1.0 O B:HOH381 3.0 30.7 1.0 N B:SER12 3.2 24.1 0.5 N B:SER12 3.2 24.0 0.5 CA B:GLY9 3.3 28.3 1.0 OG B:SER12 3.4 25.7 0.5 C B:GLY9 3.4 26.7 1.0 HB2 B:SER12 3.4 25.8 0.5 N B:ILE11 3.4 24.5 1.0 HZ A:PHE67 3.5 26.9 1.0 N B:GLY9 3.5 29.1 1.0 CB B:ILE11 3.6 24.8 1.0 O B:GLY9 3.7 25.9 1.0 HB3 B:SER12 3.7 25.5 0.5 HE2 A:PHE67 3.7 25.6 1.0 N B:SER10 3.8 26.2 0.5 N B:SER10 3.8 26.3 0.5 CA B:ILE11 3.8 24.0 1.0 CB B:SER12 3.9 25.3 0.5 HB3 B:SER12 3.9 25.5 0.5 HG B:SER12 4.0 26.2 0.5 H B:SER10 4.0 26.9 0.5 CZ A:PHE67 4.0 26.2 1.0 C B:ILE11 4.0 23.5 1.0 H B:SER10 4.0 27.0 0.5 CB B:SER12 4.0 25.1 0.5 CE2 A:PHE67 4.1 25.4 1.0 H2 B:GLY9 4.1 28.5 1.0 CA B:SER12 4.1 24.1 0.5 HA2 B:GLY9 4.2 28.9 1.0 CA B:SER12 4.2 23.9 0.5 H1 B:GLY9 4.2 30.3 1.0 HG13 B:ILE11 4.3 25.5 1.0 HD11 B:ILE11 4.4 27.1 1.0 C B:SER10 4.4 24.5 0.5 HG21 B:ILE11 4.4 24.6 1.0 C B:SER10 4.4 24.5 0.5 CG1 B:ILE11 4.5 25.3 1.0 HA B:SER12 4.6 24.0 0.5 CG2 B:ILE11 4.7 24.5 1.0 O B:HOH326 4.7 26.5 1.0 CA B:SER10 4.7 25.3 0.5 HA B:SER12 4.7 23.8 0.5 CA B:SER10 4.7 25.3 0.5 H B:THR13 4.8 23.9 1.0 HA B:ILE11 4.8 23.7 1.0 O B:HOH349 4.8 27.4 1.0 O B:HOH313 4.9 27.4 1.0 CD1 B:ILE11 4.9 26.6 1.0 HB2 B:SER12 5.0 25.2 0.5

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of Ipgc in Complex with Dmso To Be Published.