Chlorine in PDB 3lbk: Structure of Human MDM2 Protein in Complex with A Small Molecule Inhibitor

The structure of Structure of Human MDM2 Protein in Complex with A Small Molecule Inhibitor, PDB code: 3lbk was solved by G.M.Popowicz, A.Czarna, S.Wolf, T.A.Holak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.460, 60.460, 48.050, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.1

The binding sites of Chlorine atom in the Structure of Human MDM2 Protein in Complex with A Small Molecule Inhibitor (pdb code 3lbk). 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 Human MDM2 Protein in Complex with A Small Molecule Inhibitor, PDB code: 3lbk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human MDM2 Protein in Complex with A Small Molecule 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 Human MDM2 Protein in Complex with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:28.0 occ:1.00 CL2 A:K231 0.0 28.0 1.0 C1 A:K231 1.7 27.2 1.0 C7 A:K231 2.7 30.7 1.0 C3 A:K231 2.7 25.6 1.0 CE2 A:PHE86 3.8 44.1 1.0 CZ A:PHE86 3.8 43.5 1.0 CB A:LEU57 3.8 34.1 1.0 CD1 A:ILE61 3.9 40.7 1.0 C6 A:K231 3.9 31.8 1.0 CD1 A:LEU57 4.0 30.0 1.0 CG2 A:ILE99 4.0 35.5 1.0 C4 A:K231 4.0 27.7 1.0 CZ A:PHE91 4.2 30.5 1.0 CG A:LEU57 4.4 31.6 1.0 CD1 A:ILE103 4.5 32.2 1.0 CE1 A:PHE91 4.5 31.7 1.0 C5 A:K231 4.5 32.7 1.0 CD2 A:LEU54 4.8 35.8 1.0 CG1 A:ILE99 4.9 35.6 1.0 CD2 A:LEU57 4.9 29.3 1.0 CG1 A:ILE103 4.9 36.3 1.0 N A:GLY58 5.0 38.2 1.0 CG1 A:ILE61 5.0 43.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Human MDM2 Protein in Complex with A Small Molecule 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 Human MDM2 Protein in Complex with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:41.9 occ:1.00 CL30 A:K231 0.0 41.9 1.0 C29 A:K231 1.7 38.0 1.0 C28 A:K231 2.6 36.2 1.0 C31 A:K231 2.7 37.8 1.0 O A:HIS96 3.4 39.0 1.0 CA A:HIS96 3.6 41.7 1.0 CD2 A:TYR100 3.6 37.7 1.0 CG2 A:ILE99 3.6 35.5 1.0 CD2 A:HIS96 3.7 45.9 1.0 CE2 A:TYR100 3.7 37.8 1.0 CB A:ILE99 3.7 35.5 1.0 C27 A:K231 3.9 35.4 1.0 C A:HIS96 4.0 40.0 1.0 C32 A:K231 4.0 37.1 1.0 CD1 A:ILE99 4.0 32.7 1.0 CB A:HIS96 4.0 41.3 1.0 CD2 A:LEU54 4.1 35.8 1.0 CG A:HIS96 4.2 41.8 1.0 C26 A:K231 4.4 36.2 1.0 CG1 A:ILE99 4.4 35.6 1.0 O A:GLU95 4.6 43.5 1.0 N A:TYR100 4.7 35.4 1.0 N A:HIS96 4.7 42.4 1.0 CG A:TYR100 4.9 36.4 1.0 NE2 A:HIS96 4.9 46.0 1.0 CA A:ILE99 4.9 35.7 1.0 C A:ILE99 5.0 36.1 1.0

G.M.Popowicz, A.Czarna, S.Wolf, K.Wang, W.Wang, A.Domling, T.A.Holak. Structures of Low Molecular Weight Inhibitors Bound to Mdmx and MDM2 Reveal New Approaches For P53-Mdmx/MDM2 Antagonist Drug Discovery Cell Cycle V. 9 1104 2010.
ISSN: ESSN 1551-4005
PubMed: 20237429
DOI: 10.4161/CC.9.6.10956