Chlorine in PDB 6i29: X-Ray Structure of the P53-MDM2 Inhibitor NMI801 Bound to HDM2 at 2.1A Resolution

The structure of X-Ray Structure of the P53-MDM2 Inhibitor NMI801 Bound to HDM2 at 2.1A Resolution, PDB code: 6i29 was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.27 / 2.10
Space group	I 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	121.883, 121.883, 121.883, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 27.7

The binding sites of Chlorine atom in the X-Ray Structure of the P53-MDM2 Inhibitor NMI801 Bound to HDM2 at 2.1A Resolution (pdb code 6i29). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the P53-MDM2 Inhibitor NMI801 Bound to HDM2 at 2.1A Resolution, PDB code: 6i29:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the P53-MDM2 Inhibitor NMI801 Bound to HDM2 at 2.1A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the P53-MDM2 Inhibitor NMI801 Bound to HDM2 at 2.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:40.9 occ:1.00 CL1 A:H0W201 0.0 40.9 1.0 C8 A:H0W201 1.7 37.2 1.0 C6 A:H0W201 2.7 37.0 1.0 C9 A:H0W201 2.7 37.1 1.0 CG2 A:ILE99 3.7 40.2 1.0 ND1 A:HIS96 3.7 47.6 1.0 CG A:HIS96 3.7 46.7 1.0 CA A:HIS96 3.7 46.1 1.0 CZ A:TYR100 3.7 45.3 1.0 O A:HIS96 3.7 46.0 1.0 CB A:ILE99 3.8 41.0 1.0 CB A:HIS96 3.8 46.4 1.0 CE1 A:TYR100 3.9 45.2 1.0 OH A:TYR100 4.0 48.0 1.0 C4 A:H0W201 4.0 36.5 1.0 C2 A:H0W201 4.0 36.6 1.0 CE2 A:TYR100 4.0 45.7 1.0 CD1 A:ILE99 4.1 38.2 1.0 CD1 A:LEU54 4.2 35.6 1.0 C A:HIS96 4.2 46.1 1.0 CE1 A:HIS96 4.3 46.9 1.0 CD2 A:HIS96 4.3 47.1 1.0 CD1 A:TYR100 4.4 44.1 1.0 CD2 A:TYR100 4.5 44.6 1.0 CG1 A:ILE99 4.5 40.4 1.0 C3 A:H0W201 4.5 36.5 1.0 NE2 A:HIS96 4.6 47.5 1.0 CG A:TYR100 4.7 43.1 1.0 CG A:LEU54 4.8 33.3 1.0 N A:TYR100 4.9 41.6 1.0 N A:HIS96 4.9 46.1 1.0 CA A:ILE99 5.0 41.2 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the P53-MDM2 Inhibitor NMI801 Bound to HDM2 at 2.1A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the P53-MDM2 Inhibitor NMI801 Bound to HDM2 at 2.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:32.5 occ:1.00 CL3 A:H0W201 0.0 32.5 1.0 C30 A:H0W201 1.7 31.6 1.0 C28 A:H0W201 2.7 32.2 1.0 C31 A:H0W201 2.7 31.2 1.0 CD1 A:ILE61 3.8 27.1 1.0 CG2 A:ILE99 3.9 40.2 1.0 CD1 A:LEU57 3.9 29.4 1.0 CE2 A:PHE86 3.9 33.1 1.0 C24 A:H0W201 4.0 33.0 1.0 CB A:LEU57 4.0 29.7 1.0 C26 A:H0W201 4.0 33.1 1.0 CZ A:PHE86 4.1 33.5 1.0 CZ A:PHE91 4.1 30.4 1.0 CE1 A:PHE91 4.3 29.7 1.0 C25 A:H0W201 4.5 32.5 1.0 CG A:LEU57 4.5 29.4 1.0 CD1 A:LEU54 4.6 35.6 1.0 CD1 A:ILE99 4.8 38.2 1.0 CD2 A:LEU57 4.8 31.3 1.0 CG1 A:ILE99 4.9 40.4 1.0

J.Ornstein, Y.Iwamoto, M.Prytyskach, M.Miller, J.Kallen, S.Ferretti, P.Holzer, W.Forrester, R.Weissleder, G.Lahav. P53 Dynamics Vary Between Tissues and Are Linked with Radiation Sensitivity To Be Published.