Chlorine in PDB 4j7d: The 1.25A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5045331

The structure of The 1.25A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5045331, PDB code: 4j7d 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)	34.51 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.639, 38.158, 69.027, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23

The binding sites of Chlorine atom in the The 1.25A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5045331 (pdb code 4j7d). 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 1.25A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5045331, PDB code: 4j7d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The 1.25A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5045331


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The 1.25A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5045331 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:8.4 occ:1.00 CL5 A:I31201 0.0 8.4 1.0 C54 A:I31201 1.7 7.3 1.0 C55 A:I31201 2.7 7.5 1.0 C53 A:I31201 2.7 8.1 1.0 CD1 A:ILE57 3.8 8.0 1.0 CE1 A:PHE87 3.9 9.6 1.0 CZ A:PHE87 3.9 10.5 1.0 CE1 A:PHE82 3.9 12.1 1.0 C56 A:I31201 4.0 7.5 1.0 C52 A:I31201 4.0 8.5 1.0 CG2 A:ILE95 4.0 10.7 1.0 CB A:LEU53 4.1 8.1 1.0 CD1 A:LEU53 4.2 10.2 1.0 CZ A:PHE82 4.2 14.0 1.0 CD1 A:ILE95 4.4 10.8 1.0 C51 A:I31201 4.5 8.0 1.0 CG A:LEU53 4.6 8.2 1.0 CG1 A:ILE95 4.7 10.8 1.0 CD2 A:LEU53 4.8 10.9 1.0

Chlorine binding site 2 out of 2 in the The 1.25A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5045331


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The 1.25A Crystal Structure of Humanized Xenopus MDM2 with A Nutlin Fragment, RO5045331 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:11.7 occ:1.00 CL4 A:I31201 0.0 11.7 1.0 C44 A:I31201 1.8 9.1 1.0 C45 A:I31201 2.7 9.3 1.0 C43 A:I31201 2.7 10.5 1.0 CE1 A:TYR96 3.5 16.8 1.0 O A:HIS92 3.6 10.1 1.0 CZ A:TYR96 3.6 17.4 1.0 CA A:HIS92 3.6 9.2 1.0 CG A:HIS92 3.7 11.7 1.0 CB A:HIS92 3.7 11.1 1.0 CD1 A:TYR96 3.8 14.3 1.0 CG2 A:ILE95 3.8 10.7 1.0 CE2 A:TYR96 3.9 17.3 1.0 CB A:ILE95 4.0 9.9 1.0 CD2 A:LEU50 4.0 11.3 1.0 C46 A:I31201 4.0 8.7 1.0 C42 A:I31201 4.0 9.4 1.0 C A:HIS92 4.0 9.4 1.0 ND1 A:HIS92 4.1 14.6 1.0 OH A:TYR96 4.1 21.4 1.0 CD2 A:HIS92 4.1 12.3 1.0 CG A:TYR96 4.1 14.3 1.0 CD2 A:TYR96 4.2 15.9 1.0 N A:TYR96 4.4 9.5 1.0 C41 A:I31201 4.5 9.0 1.0 CE1 A:HIS92 4.6 14.8 1.0 NE2 A:HIS92 4.6 12.9 1.0 CD1 A:LEU50 4.7 12.6 1.0 CD1 A:ILE95 4.7 10.8 1.0 C A:ILE95 4.9 9.5 1.0 N A:HIS92 4.9 9.4 1.0 CG1 A:ILE95 5.0 10.8 1.0 CA A:ILE95 5.0 9.9 1.0 CG A:LEU50 5.0 10.8 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