Chlorine in PDB 5zxf: The 1.25A Crystal Structure of HIS6-Tagged MDM2 in Complex with Nutlin-3A

All present enzymatic activity of The 1.25A Crystal Structure of HIS6-Tagged MDM2 in Complex with Nutlin-3A:
2.3.2.27;

The structure of The 1.25A Crystal Structure of HIS6-Tagged MDM2 in Complex with Nutlin-3A, PDB code: 5zxf was solved by X.Y.Cheng, Z.D.Su, N.Pi, C.Z.Cao, Z.T.Zhao, J.J.Zhou, R.Chen, Z.K.Kuang, Y.Q.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.42 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.575, 43.222, 53.853, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 24.3

The binding sites of Chlorine atom in the The 1.25A Crystal Structure of HIS6-Tagged MDM2 in Complex with Nutlin-3A (pdb code 5zxf). 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 HIS6-Tagged MDM2 in Complex with Nutlin-3A, PDB code: 5zxf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The 1.25A Crystal Structure of HIS6-Tagged MDM2 in Complex with Nutlin-3A


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 HIS6-Tagged MDM2 in Complex with Nutlin-3A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:17.5 occ:1.00 CL1 A:NUT101 0.0 17.5 1.0 C22 A:NUT101 1.7 15.6 1.0 C23 A:NUT101 2.7 15.3 1.0 C21 A:NUT101 2.7 16.9 1.0 CZ A:PHE65 3.6 24.4 1.0 CE2 A:PHE65 3.8 29.3 1.0 CD1 A:ILE40 3.8 17.0 1.0 C20 A:NUT101 4.0 17.0 1.0 C24 A:NUT101 4.0 17.0 1.0 CB A:LEU36 4.1 15.3 1.0 CG2 A:ILE78 4.1 15.0 1.0 CE2 A:PHE70 4.2 16.4 1.0 CZ A:PHE70 4.2 16.8 1.0 CD1 A:ILE78 4.4 17.5 1.0 C19 A:NUT101 4.5 15.8 1.0 CG1 A:ILE78 4.5 15.8 1.0 CD1 A:LEU36 4.6 18.4 1.0 CE1 A:PHE65 4.7 25.4 1.0 C A:LEU36 4.8 14.4 1.0 N A:GLY37 4.9 13.7 1.0 O A:LEU36 4.9 15.1 1.0 CD2 A:PHE65 5.0 24.5 1.0 CG A:LEU36 5.0 16.2 1.0 CB A:ILE78 5.0 14.4 1.0

Chlorine binding site 2 out of 2 in the The 1.25A Crystal Structure of HIS6-Tagged MDM2 in Complex with Nutlin-3A


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 HIS6-Tagged MDM2 in Complex with Nutlin-3A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:24.4 occ:1.00 CL A:NUT101 0.0 24.4 1.0 C15 A:NUT101 1.7 20.8 1.0 C16 A:NUT101 2.7 19.9 1.0 C14 A:NUT101 2.7 20.9 1.0 CE2 A:TYR79 3.3 23.6 1.0 CZ A:TYR79 3.7 20.1 1.0 CD2 A:HIS75 3.8 24.5 1.0 CG A:HIS75 3.8 22.7 1.0 CD2 A:TYR79 3.8 20.0 1.0 CG2 A:ILE78 3.8 15.0 1.0 OH A:TYR79 3.9 27.8 1.0 C17 A:NUT101 4.0 20.3 1.0 C13 A:NUT101 4.0 22.5 1.0 CA A:HIS75 4.0 17.2 1.0 CD2 A:LEU33 4.1 15.6 1.0 CB A:ILE78 4.1 14.4 1.0 CB A:HIS75 4.1 19.2 1.0 ND1 A:HIS75 4.1 29.7 1.0 NE2 A:HIS75 4.1 28.7 1.0 CE1 A:HIS75 4.3 30.7 1.0 O A:HIS75 4.4 17.1 1.0 CE1 A:TYR79 4.5 22.0 1.0 C12 A:NUT101 4.5 18.1 1.0 CG A:TYR79 4.5 17.2 1.0 CD1 A:ILE78 4.6 17.5 1.0 C A:HIS75 4.8 17.7 1.0 CD1 A:LEU33 4.8 17.5 1.0 CD1 A:TYR79 4.8 19.5 1.0 N A:TYR79 4.9 13.6 1.0 CG1 A:ILE78 4.9 15.8 1.0

X.Y.Cheng, Z.D.Su. The 1.25A Crystal Structure of HIS6-Tagged MDM2 in Complex with Nutlin-3A To Be Published.