Chlorine in PDB 4hbm: Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors

The structure of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors, PDB code: 4hbm was solved by X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.350, 73.950, 123.090, 90.00, 121.60, 90.00
R / Rfree (%)	22 / 24

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors (pdb code 4hbm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors, PDB code: 4hbm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:33.1 occ:1.00 CL1 A:0Y7201 0.0 33.1 1.0 C1 A:0Y7201 1.7 21.0 1.0 C2 A:0Y7201 2.7 21.4 1.0 C4 A:0Y7201 2.7 21.7 1.0 CD1 A:ILE61 3.6 20.9 1.0 CB A:LEU57 3.8 17.8 1.0 CZ A:PHE86 3.8 22.8 1.0 CG2 A:ILE99 3.9 16.9 1.0 C3 A:0Y7201 4.0 18.8 1.0 CE2 A:PHE86 4.0 22.7 1.0 C5 A:0Y7201 4.0 19.4 1.0 CD1 A:LEU57 4.3 22.4 1.0 CD1 A:LEU54 4.4 17.6 1.0 C6 A:0Y7201 4.5 20.1 1.0 CG A:LEU57 4.6 20.1 1.0 CZ A:PHE91 4.6 18.1 1.0 CE2 A:PHE91 4.7 19.1 1.0 C A:LEU57 4.7 15.9 1.0 O A:LEU57 4.8 16.2 1.0 CD1 A:ILE103 4.8 18.6 1.0 CG1 A:ILE61 4.8 18.4 1.0 CA A:LEU57 4.9 16.2 1.0 N A:GLY58 4.9 15.4 1.0 CD1 A:ILE99 4.9 18.2 1.0

Chlorine binding site 2 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:21.5 occ:1.00 CL2 A:0Y7201 0.0 21.5 1.0 C21 A:0Y7201 1.7 19.6 1.0 C22 A:0Y7201 2.7 19.1 1.0 C20 A:0Y7201 2.7 19.8 1.0 CB A:HIS96 3.4 17.3 1.0 CD1 A:LEU54 3.6 17.6 1.0 CG A:HIS96 3.6 18.8 1.0 CE1 A:TYR100 3.7 18.9 1.0 CD1 A:TYR100 3.7 17.2 1.0 CA A:HIS96 3.7 17.4 1.0 O A:HIS96 3.8 16.2 1.0 CG2 A:ILE99 3.9 16.9 1.0 CB A:ILE99 3.9 15.1 1.0 C19 A:0Y7201 4.0 18.3 1.0 CD2 A:HIS96 4.0 18.4 1.0 C17 A:0Y7201 4.0 19.8 1.0 CG A:LEU54 4.2 15.2 1.0 CD1 A:ILE99 4.2 18.2 1.0 C A:HIS96 4.2 15.8 1.0 ND1 A:HIS96 4.2 18.7 1.0 C18 A:0Y7201 4.5 19.1 1.0 CG1 A:ILE99 4.6 17.1 1.0 CG2 A:THR16 4.7 19.1 1.0 NE2 A:HIS96 4.7 19.3 1.0 CE1 A:HIS96 4.9 19.4 1.0 N A:TYR100 4.9 17.3 1.0 N A:HIS96 5.0 19.3 1.0 CZ A:TYR100 5.0 18.5 1.0

Chlorine binding site 3 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:29.0 occ:1.00 CL1 B:0Y7201 0.0 29.0 1.0 C1 B:0Y7201 1.7 21.1 1.0 C2 B:0Y7201 2.7 20.5 1.0 C4 B:0Y7201 2.7 19.7 1.0 CD1 B:ILE61 3.7 24.7 1.0 CB B:LEU57 3.9 18.7 1.0 CG2 B:ILE99 3.9 15.8 1.0 C3 B:0Y7201 4.0 17.9 1.0 C5 B:0Y7201 4.0 18.7 1.0 CZ B:PHE86 4.1 20.9 1.0 CE2 B:PHE86 4.1 19.8 1.0 CD1 B:LEU57 4.2 20.5 1.0 CZ B:PHE91 4.2 19.5 1.0 CE1 B:PHE91 4.3 20.9 1.0 C6 B:0Y7201 4.5 18.8 1.0 CD1 B:LEU54 4.5 17.3 1.0 CG B:LEU57 4.6 20.6 1.0 CD1 B:ILE99 4.7 18.4 1.0 C B:LEU57 4.7 17.2 1.0 CG1 B:ILE61 4.8 23.9 1.0 O B:LEU57 4.9 17.4 1.0 N B:GLY58 4.9 17.1 1.0 CA B:LEU57 4.9 17.5 1.0

Chlorine binding site 4 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:19.4 occ:1.00 CL2 B:0Y7201 0.0 19.4 1.0 C21 B:0Y7201 1.7 16.6 1.0 C22 B:0Y7201 2.7 16.4 1.0 C20 B:0Y7201 2.7 15.1 1.0 CB B:HIS96 3.5 17.7 1.0 CG B:HIS96 3.6 18.0 1.0 CE1 B:TYR100 3.6 16.5 1.0 CD1 B:LEU54 3.7 17.3 1.0 CD1 B:TYR100 3.7 15.8 1.0 CA B:HIS96 3.7 18.1 1.0 CG2 B:ILE99 3.8 15.8 1.0 O B:HIS96 3.8 16.9 1.0 CB B:ILE99 3.9 16.0 1.0 CD2 B:HIS96 3.9 19.1 1.0 C17 B:0Y7201 4.0 16.2 1.0 C19 B:0Y7201 4.0 14.7 1.0 CD1 B:ILE99 4.1 18.4 1.0 CG B:LEU54 4.2 17.1 1.0 C B:HIS96 4.2 17.5 1.0 ND1 B:HIS96 4.3 19.9 1.0 C18 B:0Y7201 4.5 15.5 1.0 CG1 B:ILE99 4.6 18.1 1.0 NE2 B:HIS96 4.7 19.1 1.0 CG2 B:THR16 4.8 17.1 1.0 CE1 B:HIS96 4.8 18.8 1.0 N B:HIS96 4.9 19.0 1.0 N B:TYR100 5.0 15.1 1.0 CZ B:TYR100 5.0 16.0 1.0

Chlorine binding site 5 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:28.1 occ:1.00 CL1 C:0Y7201 0.0 28.1 1.0 C1 C:0Y7201 1.8 19.4 1.0 C4 C:0Y7201 2.7 19.8 1.0 C2 C:0Y7201 2.7 19.8 1.0 CD1 C:ILE61 3.6 19.3 1.0 CB C:LEU57 3.8 19.9 1.0 CG2 C:ILE99 3.8 13.8 1.0 C5 C:0Y7201 4.0 18.4 1.0 C3 C:0Y7201 4.0 16.8 1.0 CD1 C:LEU57 4.1 22.8 1.0 CZ C:PHE91 4.1 17.6 1.0 CE2 C:PHE86 4.2 22.5 1.0 CE1 C:PHE91 4.3 18.6 1.0 CZ C:PHE86 4.4 20.7 1.0 CD1 C:LEU54 4.5 18.6 1.0 CG C:LEU57 4.5 21.8 1.0 C6 C:0Y7201 4.5 17.8 1.0 CD1 C:ILE99 4.6 14.0 1.0 C C:LEU57 4.7 17.9 1.0 CG1 C:ILE61 4.8 20.2 1.0 CG1 C:ILE99 4.9 15.3 1.0 N C:GLY58 4.9 18.1 1.0 O C:LEU57 4.9 17.3 1.0 CA C:LEU57 4.9 17.2 1.0

Chlorine binding site 6 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:20.0 occ:1.00 CL2 C:0Y7201 0.0 20.0 1.0 C21 C:0Y7201 1.7 18.3 1.0 C22 C:0Y7201 2.7 16.7 1.0 C20 C:0Y7201 2.7 16.8 1.0 CB C:HIS96 3.5 15.6 1.0 CD1 C:LEU54 3.6 18.6 1.0 O C:HIS96 3.7 15.5 1.0 CG C:HIS96 3.7 15.3 1.0 CA C:HIS96 3.7 14.6 1.0 CD1 C:TYR100 3.7 16.4 1.0 CE1 C:TYR100 3.7 17.9 1.0 CB C:ILE99 3.8 14.6 1.0 CG2 C:ILE99 3.8 13.8 1.0 CD2 C:HIS96 3.9 15.3 1.0 C19 C:0Y7201 4.0 17.0 1.0 C17 C:0Y7201 4.0 18.3 1.0 CD1 C:ILE99 4.0 14.0 1.0 C C:HIS96 4.1 15.4 1.0 CG C:LEU54 4.2 19.1 1.0 ND1 C:HIS96 4.5 15.2 1.0 CG1 C:ILE99 4.5 15.3 1.0 C18 C:0Y7201 4.5 17.9 1.0 NE2 C:HIS96 4.7 15.4 1.0 CG2 C:THR16 4.8 21.1 1.0 N C:TYR100 4.8 13.2 1.0 N C:HIS96 4.9 17.2 1.0

Chlorine binding site 7 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:30.3 occ:1.00 CL1 D:0Y7201 0.0 30.3 1.0 C1 D:0Y7201 1.7 23.9 1.0 C2 D:0Y7201 2.7 23.2 1.0 C4 D:0Y7201 2.7 23.4 1.0 CD1 D:ILE61 3.6 22.5 1.0 CG2 D:ILE99 3.8 19.3 1.0 CB D:LEU57 3.9 19.7 1.0 C3 D:0Y7201 4.0 22.0 1.0 C5 D:0Y7201 4.0 21.8 1.0 CZ D:PHE86 4.1 24.5 1.0 CE2 D:PHE86 4.1 25.0 1.0 CZ D:PHE91 4.1 21.7 1.0 CD1 D:LEU57 4.3 22.2 1.0 CE1 D:PHE91 4.4 23.1 1.0 C6 D:0Y7201 4.5 22.1 1.0 CG D:LEU57 4.6 22.5 1.0 CD1 D:LEU54 4.6 20.1 1.0 CD1 D:ILE99 4.7 20.4 1.0 C D:LEU57 4.8 18.7 1.0 CG1 D:ILE61 4.8 21.2 1.0 CD1 D:ILE103 4.9 20.9 1.0 CG1 D:ILE99 5.0 21.0 1.0 N D:GLY58 5.0 18.8 1.0 CB D:ILE99 5.0 20.5 1.0 CA D:LEU57 5.0 18.4 1.0

Chlorine binding site 8 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:25.2 occ:1.00 CL2 D:0Y7201 0.0 25.2 1.0 C21 D:0Y7201 1.7 24.7 1.0 C22 D:0Y7201 2.7 24.0 1.0 C20 D:0Y7201 2.7 24.4 1.0 CB D:HIS96 3.3 22.0 1.0 CD1 D:LEU54 3.5 20.1 1.0 CG D:HIS96 3.5 22.3 1.0 CA D:HIS96 3.6 22.4 1.0 O D:HIS96 3.7 21.9 1.0 CD1 D:TYR100 3.7 22.5 1.0 CE1 D:TYR100 3.8 21.1 1.0 CD2 D:HIS96 3.9 22.3 1.0 C17 D:0Y7201 4.0 24.4 1.0 CG2 D:ILE99 4.0 19.3 1.0 CB D:ILE99 4.0 20.5 1.0 C19 D:0Y7201 4.0 24.2 1.0 C D:HIS96 4.1 22.5 1.0 CG D:LEU54 4.1 20.0 1.0 ND1 D:HIS96 4.2 22.8 1.0 CD1 D:ILE99 4.2 20.4 1.0 C18 D:0Y7201 4.5 24.4 1.0 CG2 D:THR16 4.6 23.7 1.0 CG1 D:ILE99 4.7 21.0 1.0 NE2 D:HIS96 4.7 21.8 1.0 CE1 D:HIS96 4.8 22.8 1.0 N D:HIS96 4.9 22.5 1.0 N D:TYR100 4.9 19.8 1.0

Chlorine binding site 9 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:35.6 occ:1.00 CL1 E:0Y7201 0.0 35.6 1.0 C1 E:0Y7201 1.7 27.1 1.0 C2 E:0Y7201 2.7 26.8 1.0 C4 E:0Y7201 2.7 28.0 1.0 CD1 E:ILE61 3.7 25.4 1.0 CB E:LEU57 3.8 18.6 1.0 CG2 E:ILE99 3.8 24.8 1.0 C3 E:0Y7201 4.0 25.8 1.0 C5 E:0Y7201 4.0 25.8 1.0 CE2 E:PHE86 4.1 29.4 1.0 CZ E:PHE86 4.2 29.6 1.0 CD1 E:LEU57 4.2 21.4 1.0 CZ E:PHE91 4.4 28.1 1.0 C6 E:0Y7201 4.5 25.6 1.0 CE1 E:PHE91 4.5 28.8 1.0 CD1 E:LEU54 4.6 17.4 1.0 CG E:LEU57 4.6 20.1 1.0 C E:LEU57 4.7 18.3 1.0 CD1 E:ILE99 4.8 25.9 1.0 CG1 E:ILE61 4.8 24.5 1.0 O E:LEU57 4.9 18.6 1.0 CA E:LEU57 4.9 18.4 1.0 N E:GLY58 4.9 17.9 1.0

Chlorine binding site 10 out of 16 in the Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Ordering of the N Terminus of Human MDM2 By Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:29.3 occ:1.00 CL2 E:0Y7201 0.0 29.3 1.0 C21 E:0Y7201 1.7 27.1 1.0 C22 E:0Y7201 2.7 26.8 1.0 C20 E:0Y7201 2.8 27.1 1.0 CB E:HIS96 3.5 29.4 1.0 CD1 E:LEU54 3.5 17.4 1.0 CG E:HIS96 3.6 29.7 1.0 CD1 E:TYR100 3.7 23.2 1.0 CA E:HIS96 3.7 29.8 1.0 O E:HIS96 3.7 26.6 1.0 CE1 E:TYR100 3.8 22.3 1.0 CD2 E:HIS96 3.8 28.8 1.0 C17 E:0Y7201 4.0 27.5 1.0 CB E:ILE99 4.0 23.6 1.0 CG2 E:ILE99 4.0 24.8 1.0 C19 E:0Y7201 4.0 27.3 1.0 CG E:LEU54 4.1 18.5 1.0 C E:HIS96 4.2 28.6 1.0 CD1 E:ILE99 4.2 25.9 1.0 ND1 E:HIS96 4.3 30.3 1.0 C18 E:0Y7201 4.5 26.6 1.0 NE2 E:HIS96 4.6 28.7 1.0 CG1 E:ILE99 4.7 24.5 1.0 CG2 E:THR16 4.7 24.7 1.0 CE1 E:HIS96 4.8 29.6 1.0 N E:HIS96 4.9 31.4 1.0 N E:TYR100 4.9 22.1 1.0 CG E:TYR100 5.0 22.3 1.0

K.Michelsen, J.B.Jordan, J.Lewis, A.M.Long, E.Yang, Y.Rew, J.Zhou, P.Yakowec, P.D.Schnier, X.Huang, L.Poppe. Ordering of the N-Terminus of Human MDM2 By Small Molecule Inhibitors. J.Am.Chem.Soc. V. 134 17059 2012.
ISSN: ISSN 0002-7863
PubMed: 22991965
DOI: 10.1021/JA305839B