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

The structure of Structure of A Novel Submicromolar MDM2 Inhibitor, PDB code: 4mdn 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)	50.54 / 1.91
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.341, 64.341, 81.685, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 20.3

The binding sites of Chlorine atom in the Structure of A Novel Submicromolar MDM2 Inhibitor (pdb code 4mdn). 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: 4mdn:
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:33.0 occ:1.00 CLI A:Y30201 0.0 33.0 1.0 CBD A:Y30201 1.8 33.8 1.0 CAU A:Y30201 2.7 31.0 1.0 CAQ A:Y30201 2.8 29.8 1.0 CD1 A:ILE61 3.8 26.4 1.0 CE2 A:PHE86 3.9 36.2 1.0 CBJ A:Y30201 4.0 29.8 1.0 CAT A:Y30201 4.0 31.1 1.0 CZ A:PHE91 4.1 32.7 1.0 CZ A:PHE86 4.1 35.2 1.0 CG2 A:ILE99 4.1 30.3 1.0 CE2 A:PHE91 4.1 32.0 1.0 CB A:LEU57 4.2 27.7 1.0 CD1 A:LEU57 4.4 31.2 1.0 CBK A:Y30201 4.5 33.5 1.0 CG A:LEU57 4.8 28.5 1.0 CD1 A:ILE99 4.9 36.6 1.0 CG1 A:ILE99 4.9 33.3 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:Cl201 b:57.7 occ:1.00 CLH A:Y30201 0.0 57.7 1.0 CBC A:Y30201 1.8 34.8 1.0 CAL A:Y30201 2.7 31.6 1.0 CAK A:Y30201 2.8 35.7 1.0 CB A:GLU23 3.6 38.1 1.0 CD2 A:TYR100 3.6 35.5 1.0 O A:GLU23 3.7 45.3 1.0 CE2 A:TYR100 3.7 41.8 1.0 C A:GLU23 3.9 41.1 1.0 O A:HOH304 3.9 40.8 1.0 CE A:MET50 3.9 39.8 1.0 CAN A:Y30201 4.0 37.6 1.0 CAM A:Y30201 4.0 36.9 1.0 CB A:MET50 4.1 35.1 1.0 N A:GLN24 4.3 38.2 1.0 CG A:GLN24 4.4 41.8 1.0 CG2 A:ILE19 4.4 32.0 1.0 CG A:MET50 4.4 32.7 1.0 CA A:GLN24 4.4 36.4 1.0 CA A:GLU23 4.4 33.4 1.0 CBE A:Y30201 4.6 36.1 1.0 CG A:GLU23 4.7 34.1 1.0 OE2 A:GLU23 4.8 42.3 1.0 CG A:TYR100 4.9 33.0 1.0 CD1 A:LEU54 5.0 30.5 1.0 CD1 A:ILE19 5.0 29.4 1.0 SD A:MET50 5.0 41.2 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