Chlorine in PDB 7nmx: Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12, PDB code: 7nmx was solved by F.Centorrino, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.89 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.469, 111.993, 62.699, 90, 90, 90
R / Rfree (%)	17.1 / 22.7

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12 (pdb code 7nmx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12, PDB code: 7nmx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12


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 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:42.6 occ:1.00 H1 A:GLY-4 2.4 33.2 1.0 H2 A:GLY-4 2.5 33.2 1.0 CA A:CA305 2.5 16.5 1.0 N A:GLY-4 2.7 27.6 1.0 H3 A:GLY-4 2.8 33.2 1.0 CA A:GLY-4 4.2 45.6 1.0 CL A:CL306 4.4 142.7 1.0 HA2 A:GLY-4 4.5 54.8 1.0 HA3 A:GLY-4 4.5 54.8 1.0 O A:HOH547 4.8 15.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12


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 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:142.7 occ:1.00 CA A:CA305 2.7 16.5 1.0 O A:HOH489 3.2 23.7 1.0 H2 A:GLY-4 3.7 33.2 1.0 HA2 A:GLY-4 4.2 54.8 1.0 N A:GLY-4 4.4 27.6 1.0 CL A:CL303 4.4 42.6 1.0 CL A:CL307 4.4 101.2 1.0 H1 A:GLY-4 4.5 33.2 1.0 HZ3 A:LYS27 4.6 19.3 1.0 CA A:GLY-4 4.8 45.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:101.2 occ:1.00 H A:ALA-3 2.5 40.1 1.0 HA2 A:GLY-4 2.7 54.8 1.0 N A:ALA-3 3.1 33.4 1.0 HB2 A:ALA-3 3.2 39.5 1.0 HZ1 A:LYS27 3.2 19.3 1.0 O A:HOH489 3.4 23.7 1.0 O A:HOH550 3.6 18.6 1.0 CA A:GLY-4 3.6 45.6 1.0 C A:GLY-4 3.7 30.1 1.0 HB3 A:ALA-3 3.7 39.5 1.0 CB A:ALA-3 3.8 32.9 1.0 CA A:ALA-3 4.0 29.3 1.0 NZ A:LYS27 4.0 16.0 1.0 HZ3 A:LYS27 4.1 19.3 1.0 HA3 A:GLY-4 4.2 54.8 1.0 H2 A:GLY-4 4.2 33.2 1.0 HA A:ALA-3 4.3 35.1 1.0 HZ2 A:LYS27 4.3 19.3 1.0 CL A:CL306 4.4 142.7 1.0 N A:GLY-4 4.5 27.6 1.0 HB1 A:ALA-3 4.7 39.5 1.0 O A:GLY-4 4.8 24.1 1.0 CA A:CA305 4.9 16.5 1.0 HD3 A:LYS27 5.0 9.2 1.0 O A:HOH491 5.0 11.7 1.0

F.Centorrino, B.Andlovic, P.Cossar, L.Brunsveld, C.Ottmann. Fragment-Based Exploration of the 14-3-3/Amot-P130 Interface. Curr Res Struct Biol V. 4 21 2022.
ISSN: ESSN 2665-928X
PubMed: 35036934
DOI: 10.1016/J.CRSTBI.2021.12.003