Chlorine in PDB 6nv2: 14-3-3 Sigma with Rela/P65 Binding Site PS45 in Complex with DP005

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 in Complex with DP005, PDB code: 6nv2 was solved by M.Wolter, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.47 / 1.13
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.150, 112.070, 62.510, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18

The binding sites of Chlorine atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 in Complex with DP005 (pdb code 6nv2). 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 14-3-3 Sigma with Rela/P65 Binding Site PS45 in Complex with DP005, PDB code: 6nv2:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 in Complex with DP005


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 14-3-3 Sigma with Rela/P65 Binding Site PS45 in Complex with DP005 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:12.4 occ:1.00 O A:HOH693 3.0 21.0 1.0 HA A:TYR84 3.0 10.9 1.0 O A:HOH662 3.1 17.5 1.0 HD2 A:LYS87 3.1 21.4 1.0 HD1 A:TYR84 3.2 11.8 1.0 HB2 A:LYS87 3.3 14.3 1.0 HB3 A:GLU83 3.5 10.6 1.0 HB2 A:TYR84 3.7 11.1 1.0 CA A:TYR84 3.8 9.1 1.0 CD A:LYS87 3.9 17.9 1.0 O A:GLU83 3.9 8.9 1.0 HD3 A:LYS87 3.9 21.4 1.0 HB3 A:LYS87 4.0 14.3 1.0 N A:TYR84 4.0 8.4 1.0 C A:GLU83 4.0 8.7 1.0 CB A:LYS87 4.0 11.9 1.0 CD1 A:TYR84 4.0 9.8 1.0 CB A:TYR84 4.2 9.3 1.0 CB A:GLU83 4.3 8.9 1.0 HB2 A:GLU83 4.3 10.6 1.0 CG A:LYS87 4.5 14.9 1.0 H A:TYR84 4.5 10.1 1.0 O A:HOH448 4.5 15.3 1.0 HZ3 A:LYS87 4.5 27.9 1.0 CG A:TYR84 4.6 9.4 1.0 HG3 A:LYS87 4.7 17.9 1.0 CA A:GLU83 4.8 8.7 1.0 H A:LYS87 4.9 12.3 1.0 O A:HOH729 4.9 35.3 1.0 HZ1 A:LYS87 5.0 27.9 1.0

M.Wolter, C.Ottmann. Targeting the Natural Product-Validated Interface of Nf-Kappab/14 3 3 with Covalent Fragments To Be Published.