Chlorine in PDB 7pe0: Crystal Structure of Ipgc in Complex with J52

The structure of Crystal Structure of Ipgc in Complex with J52, PDB code: 7pe0 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)	47.64 / 1.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.642, 57.642, 159.612, 90, 90, 120
R / Rfree (%)	17.4 / 18.5

The structure of Crystal Structure of Ipgc in Complex with J52 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 J52 (pdb code 7pe0). 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 Ipgc in Complex with J52, PDB code: 7pe0:

Chlorine binding site 1 out of 1 in the Crystal Structure of Ipgc in Complex with J52


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 J52 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:37.7 occ:1.00 O A:HOH375 3.0 39.2 1.0 CA A:ALA119 3.4 31.3 1.0 C A:ALA119 3.4 30.1 1.0 N A:LEU121 3.5 31.1 1.0 CB A:LEU121 3.6 32.8 1.0 CB A:ALA119 3.6 30.5 1.0 N A:LYS122 3.7 30.4 1.0 N A:PRO120 3.7 30.9 1.0 O A:ALA119 3.9 29.1 1.0 CD A:PRO120 3.9 32.6 1.0 CA A:LEU121 4.0 31.2 1.0 CG A:LYS122 4.1 32.0 1.0 CG A:LEU121 4.2 34.2 1.0 C A:LEU121 4.3 30.5 1.0 CD1 A:LEU121 4.4 36.1 1.0 C A:PRO120 4.5 30.1 1.0 CB A:LYS122 4.5 29.9 1.0 CD A:LYS122 4.5 32.7 1.0 CE A:LYS122 4.6 35.6 1.0 CA A:PRO120 4.7 30.2 1.0 CG A:PRO120 4.7 32.9 1.0 CA A:LYS122 4.7 29.2 1.0 N A:ALA119 4.8 31.5 1.0 O A:LYS118 4.9 34.9 1.0

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of Ipgc in Complex with J52 To Be Published.