Chlorine in PDB 7kjm: Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega)

All present enzymatic activity of Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega):
2.3.2.27;

The structure of Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega), PDB code: 7kjm was solved by W.D.Tolbert, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.06 / 1.40
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.355, 38.451, 138.022, 90, 90, 90
R / Rfree (%)	18.4 / 21

The binding sites of Chlorine atom in the Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega) (pdb code 7kjm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega), PDB code: 7kjm:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega)


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 Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl7 b:25.6 occ:1.00 CL B:D0C7 0.0 25.6 1.0 CZ B:D0C7 1.7 20.3 1.0 CE1 B:D0C7 2.7 22.7 1.0 CE2 B:D0C7 2.7 19.9 1.0 CG2 A:ILE99 3.8 19.2 1.0 CD1 B:D0C7 4.0 21.9 1.0 CD2 B:D0C7 4.0 20.0 1.0 CD1 A:LEU57 4.1 22.6 1.0 CB A:LEU57 4.2 20.3 1.0 CD2 A:LEU54 4.3 20.6 1.0 CD1 A:ILE61 4.3 19.0 1.0 CG B:D0C7 4.5 21.1 1.0 CD1 A:ILE103 4.6 21.5 1.0 CE2 A:PHE86 4.7 21.8 1.0 CZ A:PHE86 4.7 21.5 1.0 CE1 A:PHE91 4.8 23.9 1.0 CD1 A:ILE99 4.8 24.5 1.0 CG A:LEU57 4.8 22.0 1.0 CZ A:PHE91 4.9 22.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega)


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 Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl7 b:25.6 occ:1.00 CL D:D0C7 0.0 25.6 1.0 CZ D:D0C7 1.7 23.7 1.0 CE1 D:D0C7 2.6 25.6 1.0 CE2 D:D0C7 2.7 24.5 1.0 CG2 C:ILE99 3.8 18.8 1.0 CD1 D:D0C7 3.9 26.9 1.0 CD2 D:D0C7 4.0 24.9 1.0 CB C:LEU57 4.1 21.4 1.0 CD1 C:ILE61 4.1 23.7 1.0 CD2 C:LEU54 4.3 21.6 1.0 CD1 C:LEU57 4.3 21.2 1.0 CG D:D0C7 4.5 24.4 1.0 CD1 C:ILE99 4.6 21.6 1.0 CE1 C:PHE91 4.7 22.3 1.0 CG C:LEU57 4.8 21.9 1.0 CZ C:PHE91 4.8 22.3 1.0 CD2 D:DLE11 4.9 22.9 1.0 CG1 C:ILE99 5.0 21.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega)


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 Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:42.2 occ:1.00 O A:HOH335 3.2 26.7 1.0 N A:LEU33 3.3 25.0 1.0 CB A:LEU33 3.4 29.2 1.0 CB A:LYS31 3.8 24.3 1.0 N A:PRO32 3.9 23.2 1.0 CD A:PRO32 3.9 27.8 1.0 CA A:LEU33 4.0 23.9 1.0 C A:LYS31 4.3 23.2 1.0 CD2 A:LEU33 4.4 33.6 1.0 C A:PRO32 4.4 24.6 1.0 CA A:PRO32 4.5 24.4 1.0 CB A:PRO32 4.5 27.4 1.0 CG A:LEU33 4.5 32.9 1.0 CD A:LYS31 4.6 31.9 1.0 CG A:PRO32 4.7 28.7 1.0 CA A:LYS31 4.7 22.6 1.0 CG A:LYS31 4.8 27.7 1.0 N A:LEU34 4.9 22.0 1.0 O A:LYS31 5.0 21.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:49.1 occ:1.00 OG A:SER90 3.1 30.5 1.0 N A:PHE91 3.7 23.6 1.0 CA A:PHE91 3.7 24.5 1.0 C A:SER90 3.7 25.0 1.0 CB A:SER90 3.8 26.3 1.0 O A:SER90 3.9 26.6 1.0 C A:PHE91 3.9 23.2 1.0 N A:SER92 4.2 24.0 1.0 CA A:SER90 4.4 26.0 1.0 O A:PHE91 4.5 23.6 1.0 O A:HOH340 4.6 46.9 1.0 CG2 A:ILE74 4.6 31.8 1.0 O A:HOH311 4.6 34.9 1.0 OE1 A:GLU95 4.7 35.9 1.0

W.D.Tolbert, M.Pazgier. Crystal Structure of Human MDM2 in Complex with D-Peptide Inhibitor (Dpmi-Omega) To Be Published.