Chlorine in PDB 4ipf: The 1.7A Crystal Structure of Humanized Xenopus MDM2 with RO5045337

The structure of The 1.7A Crystal Structure of Humanized Xenopus MDM2 with RO5045337, PDB code: 4ipf was solved by B.J.Graves, C.Lukacs, R.U.Kammlott, R.Crowther, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.75 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	43.083, 67.493, 66.724, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 23.1

The binding sites of Chlorine atom in the The 1.7A Crystal Structure of Humanized Xenopus MDM2 with RO5045337 (pdb code 4ipf). 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 1.7A Crystal Structure of Humanized Xenopus MDM2 with RO5045337, PDB code: 4ipf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The 1.7A Crystal Structure of Humanized Xenopus MDM2 with RO5045337


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The 1.7A Crystal Structure of Humanized Xenopus MDM2 with RO5045337 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:11.7 occ:1.00 CL5 A:1F0201 0.0 11.7 1.0 C54 A:1F0201 1.8 9.3 1.0 C55 A:1F0201 2.7 9.5 1.0 C53 A:1F0201 2.7 8.9 1.0 CD2 A:LEU53 3.4 15.4 1.0 CD1 A:ILE57 3.6 10.6 1.0 CE1 A:PHE87 3.7 12.6 1.0 CZ A:PHE87 3.7 9.4 1.0 CG A:LEU53 3.8 14.2 1.0 CG2 A:ILE95 4.0 10.2 1.0 CD1 A:ILE95 4.0 10.5 1.0 C56 A:1F0201 4.0 9.3 1.0 C52 A:1F0201 4.0 9.2 1.0 CB A:LEU53 4.4 10.1 1.0 C51 A:1F0201 4.6 10.0 1.0 CG1 A:ILE95 4.6 9.1 1.0 CB A:ILE95 4.9 10.1 1.0 CD1 A:PHE87 5.0 10.9 1.0 CG1 A:ILE57 5.0 10.5 1.0 N A:GLY54 5.0 8.9 1.0 CE2 A:PHE87 5.0 9.4 1.0 C A:LEU53 5.0 9.3 1.0

Chlorine binding site 2 out of 2 in the The 1.7A Crystal Structure of Humanized Xenopus MDM2 with RO5045337


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The 1.7A Crystal Structure of Humanized Xenopus MDM2 with RO5045337 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.5 occ:1.00 CL4 A:1F0201 0.0 12.5 1.0 C44 A:1F0201 1.8 9.2 1.0 C45 A:1F0201 2.7 10.9 1.0 C43 A:1F0201 2.7 11.1 1.0 CG A:HIS92 3.5 11.7 1.0 CE1 A:TYR96 3.6 12.4 1.0 CA A:HIS92 3.6 10.6 1.0 CB A:HIS92 3.6 11.8 1.0 CD1 A:TYR96 3.6 10.2 1.0 O A:HIS92 3.8 10.5 1.0 ND1 A:HIS92 3.8 13.3 1.0 CD2 A:LEU50 3.8 11.0 1.0 CD2 A:HIS92 3.8 13.2 1.0 CG2 A:ILE95 4.0 10.2 1.0 CB A:ILE95 4.0 10.1 1.0 C46 A:1F0201 4.0 9.2 1.0 C42 A:1F0201 4.0 10.9 1.0 CD1 A:LEU50 4.0 11.3 1.0 C A:HIS92 4.2 10.4 1.0 CE1 A:HIS92 4.3 13.4 1.0 NE2 A:HIS92 4.3 14.1 1.0 CD1 A:ILE95 4.4 10.5 1.0 C41 A:1F0201 4.5 9.8 1.0 CG A:LEU50 4.5 13.4 1.0 N A:HIS92 4.7 10.8 1.0 CG1 A:ILE95 4.7 9.1 1.0 N A:TYR96 4.9 10.7 1.0 CZ A:TYR96 4.9 12.5 1.0 CG A:TYR96 4.9 10.2 1.0

C.Tovar, B.Graves, K.Packman, Z.Filipovic, B.H.Xia, C.Tardell, R.Garrido, E.Lee, K.Kolinsky, K.H.To, M.Linn, F.Podlaski, P.Wovkulich, B.Vu, L.T.Vassilev. MDM2 Small-Molecule Antagonist RG7112 Activates P53 Signaling and Regresses Human Tumors in Preclinical Cancer Models. Cancer Res. V. 73 2587 2013.
ISSN: ISSN 0008-5472
PubMed: 23400593
DOI: 10.1158/0008-5472.CAN-12-2807