Chlorine in PDB 4mdq: Structure of A Novel Submicromolar MDM2 Inhibitor

The structure of Structure of A Novel Submicromolar MDM2 Inhibitor, PDB code: 4mdq was solved by M.Bista, G.Popowicz, T.A.Holak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.35 / 2.12
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.520, 53.520, 122.270, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 22.1

The binding sites of Chlorine atom in the Structure of A Novel Submicromolar MDM2 Inhibitor (pdb code 4mdq). 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 of A Novel Submicromolar MDM2 Inhibitor, PDB code: 4mdq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Novel Submicromolar MDM2 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Novel Submicromolar MDM2 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:25.7 occ:1.00 CLH A:28W201 0.0 25.7 1.0 CBA A:28W201 1.8 24.1 1.0 CAN A:28W201 2.7 24.1 1.0 CAP A:28W201 2.7 23.7 1.0 CD1 A:ILE61 3.8 20.2 1.0 CZ A:PHE91 3.9 26.0 1.0 CE1 A:PHE91 3.9 25.7 1.0 CG2 A:ILE99 4.0 29.3 1.0 CBE A:28W201 4.0 24.0 1.0 CAO A:28W201 4.0 24.2 1.0 CD1 A:LEU54 4.1 26.3 1.0 CB A:LEU57 4.1 20.6 1.0 CE2 A:PHE86 4.4 25.8 1.0 CD1 A:LEU57 4.4 21.6 1.0 CD1 A:ILE99 4.5 28.1 1.0 CBF A:28W201 4.5 24.6 1.0 CZ A:PHE86 4.5 25.4 1.0 CG A:LEU57 4.8 21.1 1.0 CG1 A:ILE99 4.8 28.8 1.0

Chlorine binding site 2 out of 2 in the Structure of A Novel Submicromolar MDM2 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Novel Submicromolar MDM2 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:41.3 occ:1.00 CLH A:28W202 0.0 41.3 1.0 CBA A:28W202 1.7 37.3 1.0 CAP A:28W202 2.6 37.0 1.0 CAN A:28W202 2.6 37.2 1.0 CA A:ARG97 3.5 33.4 1.0 N A:ARG97 3.5 31.7 1.0 CG A:ARG97 3.5 38.4 1.0 C A:HIS96 3.7 31.2 1.0 CBE A:28W202 3.9 37.6 1.0 O A:HIS96 3.9 30.1 1.0 CAO A:28W202 3.9 36.5 1.0 CB A:HIS96 4.0 32.2 1.0 CB A:ARG97 4.1 35.6 1.0 CBF A:28W202 4.4 37.8 1.0 CB A:TYR100 4.5 34.6 1.0 CA A:HIS96 4.5 30.4 1.0 CAJ A:28W202 4.7 36.4 1.0 O A:HOH377 4.7 51.0 1.0 C A:ARG97 4.8 32.4 1.0 CD A:ARG97 4.9 38.9 1.0 CG A:TYR100 4.9 37.5 1.0

M.Bista, S.Wolf, K.Khoury, K.Kowalska, Y.Huang, E.Wrona, M.Arciniega, G.M.Popowicz, T.A.Holak, A.Domling. Transient Protein States in Designing Inhibitors of the MDM2-P53 Interaction. Structure V. 21 2143 2013.
ISSN: ISSN 0969-2126
PubMed: 24207125
DOI: 10.1016/J.STR.2013.09.006