Chlorine in PDB 4j7e: The 1.63A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5524529

The structure of The 1.63A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5524529, PDB code: 4j7e was solved by C.Janson, C.Lukacs, B.Graves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.31 / 1.63
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	43.290, 68.612, 67.349, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 26

The binding sites of Chlorine atom in the The 1.63A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5524529 (pdb code 4j7e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The 1.63A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5524529, PDB code: 4j7e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The 1.63A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5524529


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The 1.63A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5524529 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:27.1 occ:1.00 CL5 A:I29201 0.0 27.1 1.0 C54 A:I29201 1.8 24.8 1.0 C55 A:I29201 2.7 26.5 1.0 C53 A:I29201 2.8 24.2 1.0 CD2 A:LEU53 3.1 23.8 1.0 CD1 A:ILE57 3.5 14.1 1.0 CG A:LEU53 3.6 22.7 1.0 CE1 A:PHE87 3.8 19.5 1.0 CZ A:PHE87 3.9 16.6 1.0 C56 A:I29201 4.0 26.1 1.0 C52 A:I29201 4.1 24.2 1.0 CD1 A:ILE95 4.1 15.8 1.0 CG2 A:ILE95 4.1 16.8 1.0 CB A:LEU53 4.4 17.5 1.0 C51 A:I29201 4.6 28.2 1.0 CG1 A:ILE95 4.7 16.0 1.0 CE2 A:PHE82 4.7 30.7 1.0 CD1 A:LEU53 4.8 23.8 1.0 CG1 A:ILE57 4.9 14.4 1.0

Chlorine binding site 2 out of 2 in the The 1.63A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5524529


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The 1.63A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5524529 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:23.7 occ:1.00 CL4 A:I29201 0.0 23.7 1.0 C44 A:I29201 1.8 22.0 1.0 C43 A:I29201 2.7 22.0 1.0 C45 A:I29201 2.7 22.5 1.0 CG A:HIS92 3.5 17.6 1.0 CE1 A:TYR96 3.7 19.7 1.0 CB A:HIS92 3.7 16.7 1.0 ND1 A:HIS92 3.8 20.2 1.0 CA A:HIS92 3.8 16.0 1.0 CD1 A:TYR96 3.8 17.0 1.0 CG2 A:ILE95 3.9 16.8 1.0 CD2 A:LEU50 3.9 16.5 1.0 CD2 A:HIS92 3.9 20.2 1.0 CB A:ILE95 4.0 16.1 1.0 O A:HIS92 4.0 15.3 1.0 C42 A:I29201 4.0 24.4 1.0 C46 A:I29201 4.0 23.9 1.0 CE1 A:HIS92 4.2 21.6 1.0 CD1 A:ILE95 4.2 15.8 1.0 CD1 A:LEU50 4.3 18.1 1.0 NE2 A:HIS92 4.3 21.3 1.0 C A:HIS92 4.4 17.2 1.0 C41 A:I29201 4.5 26.9 1.0 CG1 A:ILE95 4.7 16.0 1.0 CG A:LEU50 4.8 14.6 1.0 N A:HIS92 5.0 16.1 1.0 CZ A:TYR96 5.0 20.0 1.0

D.C.Fry, C.Wartchow, B.Graves, C.Janson, C.Lukacs, U.Kammlott, C.Belunis, S.Palme, C.Klein, B.Vu. Deconstruction of A Nutlin: Dissecting the Binding Determinants of A Potent Protein-Protein Interaction Inhibitor. Acs Med Chem Lett V. 4 660 2013.
ISSN: ISSN 1948-5875
PubMed: 24900726
DOI: 10.1021/ML400062C