Chlorine in PDB 5xxk: Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids

All present enzymatic activity of Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids:
2.3.2.27;

The structure of Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids, PDB code: 5xxk was solved by C.J.Brown, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.16 / 1.66
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.520, 106.410, 39.300, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.9

The binding sites of Chlorine atom in the Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids (pdb code 5xxk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids, PDB code: 5xxk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl23 b:25.9 occ:1.00 CLL C:6CW23 0.0 25.9 1.0 CH2 C:6CW23 1.8 21.6 1.0 CZ3 C:6CW23 2.7 21.0 1.0 CZ2 C:6CW23 2.7 20.3 1.0 CZ A:PHE86 3.7 30.0 1.0 CE2 A:PHE86 3.8 30.0 1.0 CD1 A:ILE61 3.8 22.3 1.0 CG2 A:ILE99 3.8 26.1 1.0 CZ A:PHE91 4.0 23.1 1.0 CE3 C:6CW23 4.0 19.5 1.0 CE2 C:6CW23 4.0 20.6 1.0 CE2 A:PHE91 4.2 23.8 1.0 CD1 A:LEU57 4.3 29.3 1.0 CD2 C:6CW23 4.5 19.3 1.0 CB A:LEU57 4.5 26.1 1.0 CD1 A:ILE103 4.7 27.8 1.0 CD2 C:LEU26 4.8 26.4 1.0 CG A:LEU57 4.9 28.5 1.0 CD2 A:LEU57 4.9 29.1 1.0 CG1 A:ILE99 4.9 24.5 1.0 CD1 A:ILE99 4.9 25.5 1.0

Chlorine binding site 2 out of 2 in the Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl23 b:30.4 occ:1.00 CLL D:6CW23 0.0 30.4 1.0 CH2 D:6CW23 1.8 22.4 1.0 CZ3 D:6CW23 2.7 20.8 1.0 CZ2 D:6CW23 2.7 21.9 1.0 CG2 B:ILE99 3.8 25.1 1.0 CE2 B:PHE86 3.9 32.5 1.0 CZ B:PHE86 3.9 32.6 1.0 CD1 B:ILE61 3.9 22.0 1.0 CE2 D:6CW23 4.0 20.4 1.0 CE3 D:6CW23 4.0 21.1 1.0 CZ B:PHE91 4.0 24.4 1.0 CE2 B:PHE91 4.2 24.3 1.0 CD1 B:LEU57 4.3 31.1 1.0 CD1 B:ILE103 4.4 29.0 1.0 CB B:LEU57 4.4 24.2 1.0 CD2 D:6CW23 4.5 20.4 1.0 CG1 B:ILE103 4.8 28.9 1.0 CG B:LEU57 4.8 28.9 1.0 CD2 D:LEU26 4.9 29.3 1.0 CG1 B:ILE99 4.9 24.4 1.0 CD1 B:ILE99 4.9 25.5 1.0 CB B:ILE99 5.0 23.6 1.0

S.M.Q.Chee, J.Wongsantichon, J.Siau, D.Thean, F.Ferrer, R.C.Robinson, D.P.Lane, C.J.Brown, F.J.Ghadessy. Structure-Activity Studies of MDM2/MDM4-Binding Stapled Peptides Comprising Non-Natural Amino Acids. Plos One V. 12 89379 2017.
ISSN: ESSN 1932-6203
PubMed: 29228061
DOI: 10.1371/JOURNAL.PONE.0189379