Chlorine in PDB 4px5: Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate

The structure of Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate, PDB code: 4px5 was solved by S.R.Jordan, S.Chmait, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.49 / 2.20
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	148.453, 148.453, 132.283, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 27.9

The structure of Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Iodine	(I)	31 atoms

The binding sites of Chlorine atom in the Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate (pdb code 4px5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate, PDB code: 4px5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:48.4 occ:1.00 CL1 A:2WZ701 0.0 48.4 1.0 C4 A:2WZ701 1.7 42.9 1.0 C5 A:2WZ701 2.7 40.2 1.0 C2 A:2WZ701 2.7 39.1 1.0 C1 A:2WZ701 3.1 36.5 1.0 CB A:TRP517 3.6 34.6 1.0 O A:LYS514 3.7 34.3 1.0 S1 A:2WZ701 3.7 39.8 1.0 CG A:LYS514 3.8 35.1 1.0 C3 A:2WZ701 3.8 37.9 1.0 N2 A:2WZ701 4.0 37.1 1.0 C7 A:2WZ701 4.0 38.8 1.0 O3 A:2WZ701 4.1 42.5 1.0 CA A:LYS514 4.1 34.7 1.0 N1 A:2WZ701 4.3 38.6 1.0 C A:LYS514 4.3 34.9 1.0 CD1 A:TRP517 4.3 38.1 1.0 CG A:TRP517 4.4 37.2 1.0 C6 A:2WZ701 4.5 36.4 1.0 CB A:LYS514 4.5 35.8 1.0 N A:ARG518 4.6 37.2 1.0 OE2 A:GLU32 4.6 40.0 1.0 CD A:GLU32 4.6 36.5 1.0 NE A:ARG215 4.6 38.8 1.0 C A:TRP517 4.7 35.3 1.0 CA A:TRP517 4.7 34.2 1.0 CD A:ARG215 4.7 36.8 1.0 CD A:LYS514 4.8 36.9 1.0 S2 A:2WZ701 4.8 44.6 1.0 CZ A:ARG215 4.9 42.6 1.0 CG A:GLU32 4.9 41.6 1.0 CG A:ARG215 5.0 42.0 1.0 OE1 A:GLU32 5.0 34.3 1.0

Chlorine binding site 2 out of 2 in the Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Gkrp Bound to Amg-0696 and Sorbitol-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:54.4 occ:1.00 CL1 B:2WZ701 0.0 54.4 1.0 C4 B:2WZ701 1.7 48.8 1.0 C5 B:2WZ701 2.7 46.2 1.0 C2 B:2WZ701 2.7 45.9 1.0 C1 B:2WZ701 3.1 42.4 1.0 S1 B:2WZ701 3.7 43.7 1.0 CB B:TRP517 3.7 40.6 1.0 O B:LYS514 3.8 37.2 1.0 CG B:LYS514 3.8 42.1 1.0 C3 B:2WZ701 3.8 42.8 1.0 N2 B:2WZ701 3.9 42.0 1.0 C7 B:2WZ701 4.0 43.0 1.0 O3 B:2WZ701 4.0 47.0 1.0 CA B:LYS514 4.1 36.8 1.0 N1 B:2WZ701 4.3 46.8 1.0 OE2 B:GLU32 4.4 52.1 1.0 C B:LYS514 4.4 35.0 1.0 CB B:LYS514 4.4 39.0 1.0 C6 B:2WZ701 4.4 41.6 1.0 CD1 B:TRP517 4.5 47.1 1.0 CG B:TRP517 4.5 40.5 1.0 NE B:ARG215 4.6 46.9 1.0 N B:ARG518 4.6 45.0 1.0 CD B:LYS514 4.7 42.5 1.0 CD B:GLU32 4.7 51.3 1.0 CD B:ARG215 4.8 42.4 1.0 C B:TRP517 4.8 43.6 1.0 CA B:TRP517 4.8 38.5 1.0 S2 B:2WZ701 4.8 50.0 1.0 CZ B:ARG215 4.9 50.2 1.0 CG B:GLU32 4.9 47.5 1.0

L.D.Pennington, M.D.Bartberger, M.D.Croghan, K.L.Andrews, K.S.Ashton, M.P.Bourbeau, J.Chen, S.Chmait, R.Cupple, C.Fotsch. Discovery and Structure Guided Optimization of Diarylmethanesulfonamide Disruptors of Gk-Gkrp Binding To Be Published.