Chlorine in PDB 4hg7: Crystal Structure of An MDM2/Nutlin-3A Complex

The structure of Crystal Structure of An MDM2/Nutlin-3A Complex, PDB code: 4hg7 was solved by M.E.M.Noble, B.Anil, C.Riedinger, J.A.Endicott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.94 / 1.60
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.450, 71.450, 104.204, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 21.5

The binding sites of Chlorine atom in the Crystal Structure of An MDM2/Nutlin-3A Complex (pdb code 4hg7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of An MDM2/Nutlin-3A Complex, PDB code: 4hg7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An MDM2/Nutlin-3A Complex


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 An MDM2/Nutlin-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:17.1 occ:1.00 CL1 A:NUT201 0.0 17.1 1.0 C22 A:NUT201 1.8 13.7 1.0 C23 A:NUT201 2.7 13.2 1.0 C21 A:NUT201 2.7 13.6 1.0 CD2 A:LEU57 3.5 12.6 0.2 CG A:LEU57 3.5 13.3 0.2 CD1 A:ILE61 3.5 14.7 1.0 C20 A:NUT201 4.0 13.6 1.0 C24 A:NUT201 4.0 14.4 1.0 CZ A:PHE91 4.0 15.4 1.0 CE1 A:PHE91 4.1 14.4 1.0 CD1 A:LEU54 4.1 14.9 1.0 CB A:LEU57 4.2 16.5 0.8 CB A:LEU57 4.2 14.2 0.2 CG2 A:ILE99 4.3 11.8 1.0 C19 A:NUT201 4.5 13.5 1.0 CD1 A:LEU57 4.6 16.6 0.8 CD1 A:LEU57 4.8 14.5 0.2 CD1 A:ILE99 4.9 14.0 1.0 N A:GLY58 4.9 14.2 1.0 C A:LEU57 4.9 13.4 1.0 CE2 A:PHE86 5.0 15.0 1.0 CG1 A:ILE61 5.0 15.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An MDM2/Nutlin-3A Complex


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 An MDM2/Nutlin-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.2 occ:1.00 CL A:NUT201 0.0 18.2 1.0 C15 A:NUT201 1.8 14.9 1.0 C14 A:NUT201 2.7 13.5 1.0 C16 A:NUT201 2.8 14.4 1.0 CG A:HIS96 3.6 14.1 1.0 CD1 A:LEU54 3.7 14.9 1.0 CE1 A:TYR100 3.7 14.7 1.0 CB A:HIS96 3.7 13.3 1.0 ND1 A:HIS96 3.9 16.7 1.0 CD1 A:TYR100 3.9 13.2 1.0 CA A:HIS96 4.0 12.8 1.0 CG A:LEU54 4.0 14.8 1.0 C13 A:NUT201 4.0 12.9 1.0 CD2 A:HIS96 4.1 14.0 1.0 C17 A:NUT201 4.1 15.0 1.0 O A:HIS96 4.1 12.0 1.0 CG2 A:ILE99 4.3 11.8 1.0 CE1 A:HIS96 4.4 17.5 1.0 CB A:ILE99 4.4 10.2 1.0 NE2 A:HIS96 4.5 15.4 1.0 C A:HIS96 4.5 11.1 1.0 C12 A:NUT201 4.6 13.3 1.0 CD1 A:ILE99 4.7 14.0 1.0 O A:HOH391 4.8 27.2 1.0 CD2 A:LEU54 4.8 15.9 1.0 O A:HOH396 4.9 41.2 1.0

B.Anil, C.Riedinger, J.A.Endicott, M.E.Noble. The Structure of An MDM2-Nutlin-3A Complex Solved By the Use of A Validated MDM2 Surface-Entropy Reduction Mutant. Acta Crystallogr.,Sect.D V. 69 1358 2013.
ISSN: ISSN 0907-4449
PubMed: 23897459
DOI: 10.1107/S0907444913004459