Chlorine in PDB 3lbj: Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor

The structure of Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor, PDB code: 3lbj was solved by G.M.Popowicz, A.Czarna, S.Wolf, T.A.Holak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.50
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	80.970, 80.970, 80.970, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.6

The binding sites of Chlorine atom in the Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor (pdb code 3lbj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor, PDB code: 3lbj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1 b:14.4 occ:1.00 CL3 E:WW81 0.0 14.4 1.0 C2 E:WW81 1.7 10.4 1.0 C4 E:WW81 2.7 12.0 1.0 C1 E:WW81 2.7 10.0 1.0 CD2 E:LEU98 3.5 23.4 1.0 CD1 E:LEU98 3.6 25.2 1.0 CG E:LEU98 3.7 22.7 1.0 CB E:LEU56 3.9 10.7 1.0 CD1 E:ILE60 3.9 10.3 1.0 C7 E:WW81 4.0 9.9 1.0 C5 E:WW81 4.0 11.3 1.0 CD1 E:LEU56 4.2 12.3 1.0 CZ E:PHE90 4.2 15.6 1.0 CG E:LEU56 4.4 12.3 1.0 CD2 E:LEU56 4.5 15.0 1.0 C6 E:WW81 4.5 9.9 1.0 CE1 E:PHE90 4.6 16.8 1.0 CE E:MET53 4.7 19.4 1.0 C E:LEU56 4.8 10.9 1.0 O E:LEU56 4.9 9.5 1.0 CA E:LEU56 5.0 10.5 1.0

Chlorine binding site 2 out of 4 in the Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1 b:19.1 occ:1.00 CL42 E:WW81 0.0 19.1 1.0 C41 E:WW81 1.7 16.8 1.0 C43 E:WW81 2.7 15.8 1.0 C40 E:WW81 2.7 16.7 1.0 CG E:PRO95 3.7 13.2 1.0 CD2 E:LEU98 3.7 23.4 1.0 C44 E:WW81 4.0 14.1 1.0 CE E:MET53 4.0 19.4 1.0 C39 E:WW81 4.0 14.8 1.0 CB E:PRO95 4.1 14.2 1.0 CL42 E:WW8112 4.1 30.5 0.5 CE2 E:TYR99 4.3 13.8 1.0 OH E:TYR99 4.4 15.1 1.0 C38 E:WW81 4.5 12.9 1.0 CZ E:TYR99 4.8 14.6 1.0

Chlorine binding site 3 out of 4 in the Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl112 b:29.6 occ:1.00 CL3 E:WW8112 0.0 29.6 1.0 C2 E:WW8112 1.8 24.9 1.0 C4 E:WW8112 2.7 23.5 1.0 C1 E:WW8112 2.8 21.5 1.0 O E:TYR99 3.1 15.3 1.0 C E:TYR99 3.4 15.1 1.0 CB E:ARG103 3.6 21.5 1.0 N E:ASP100 3.8 16.3 1.0 OD1 E:ASP100 3.8 29.8 1.0 CA E:ASP100 3.9 17.9 1.0 CB E:TYR99 4.0 14.4 1.0 C5 E:WW8112 4.1 24.9 1.0 C7 E:WW8112 4.1 22.9 1.0 CD E:ARG103 4.1 33.8 1.0 CA E:TYR99 4.3 14.8 1.0 NE E:ARG103 4.3 38.7 1.0 CG E:ARG103 4.3 26.5 1.0 CG E:ASP100 4.4 25.2 1.0 C6 E:WW8112 4.6 24.3 1.0 CA E:ARG103 4.7 20.4 1.0 N E:ARG103 4.7 19.0 1.0 CB E:ASP100 4.7 19.3 1.0 C E:ASP100 4.9 17.4 1.0

Chlorine binding site 4 out of 4 in the Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human Mdmx Protein in Complex with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl112 b:30.5 occ:0.50 CL42 E:WW8112 0.0 30.5 0.5 C41 E:WW8112 1.7 26.1 1.0 C40 E:WW8112 2.6 24.5 1.0 C43 E:WW8112 2.7 24.2 1.0 CE2 E:TYR99 3.3 13.8 1.0 CD2 E:TYR99 3.7 14.5 1.0 C39 E:WW8112 3.9 24.6 1.0 C44 E:WW8112 4.0 24.6 1.0 CL42 E:WW81 4.1 19.1 1.0 CZ E:TYR99 4.4 14.6 1.0 C38 E:WW8112 4.4 23.9 1.0 OH E:TYR99 4.7 15.1 1.0 CE E:MET53 4.8 19.4 1.0

G.M.Popowicz, A.Czarna, S.Wolf, K.Wang, W.Wang, A.Domling, T.A.Holak. Structures of Low Molecular Weight Inhibitors Bound to Mdmx and MDM2 Reveal New Approaches For P53-Mdmx/MDM2 Antagonist Drug Discovery Cell Cycle V. 9 1104 2010.
ISSN: ESSN 1551-4005
PubMed: 20237429
DOI: 10.4161/CC.9.6.10956