Chlorine in PDB 3iux: Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues)

The structure of Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues), PDB code: 3iux was solved by M.Pazgier, W.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.156, 71.569, 75.599, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues) (pdb code 3iux). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues), PDB code: 3iux:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl110 b:32.2 occ:1.00 O A:HOH18 3.1 17.4 1.0 N A:LEU33 3.4 15.4 1.0 CD A:PRO32 3.6 13.9 1.0 N A:PRO32 3.7 16.3 1.0 CG A:LEU33 3.7 18.4 1.0 CB A:LEU33 3.9 16.2 1.0 CB A:PRO32 4.0 16.0 1.0 CB A:LYS31 4.1 16.9 1.0 CA A:PRO32 4.2 14.8 1.0 CA A:LEU33 4.3 15.9 1.0 CG A:PRO32 4.3 15.1 1.0 C A:PRO32 4.3 15.7 1.0 CD1 A:LEU33 4.3 18.5 1.0 C A:LYS31 4.3 15.3 1.0 O A:HOH155 4.3 35.2 1.0 OD1 A:ASN106 4.6 19.5 1.0 CA A:LYS31 4.9 16.2 1.0 CD2 A:LEU33 4.9 21.6 1.0 O A:LYS31 5.0 16.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1 b:55.8 occ:1.00 O C:HOH195 3.6 33.2 1.0 ND1 C:HIS96 3.6 17.8 1.0 O D:HOH63 4.1 22.9 1.0 CE1 C:HIS96 4.1 21.4 1.0 CG C:HIS96 4.9 18.9 1.0 O D:HIA18 4.9 26.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human MDM2 in Complex with A Potent Miniature Protein Inhibitor (18-Residues) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl110 b:63.5 occ:1.00 OG1 C:THR47 3.1 25.2 1.0 N C:ASP46 3.5 21.1 1.0 N C:THR47 3.7 20.6 1.0 CB C:LYS45 3.8 26.8 1.0 O C:HOH150 3.9 33.9 1.0 CB C:THR47 4.1 22.7 1.0 CA C:ASP46 4.1 20.3 1.0 CB C:ASP46 4.2 19.9 1.0 CG2 C:THR47 4.2 22.9 1.0 C C:ASP46 4.3 20.6 1.0 CG C:LYS45 4.4 27.1 1.0 C C:LYS45 4.4 23.5 1.0 CA C:THR47 4.5 20.9 1.0 CA C:LYS45 4.5 25.6 1.0 O C:THR47 4.7 21.9 1.0

C.Li, M.Pazgier, M.Liu, W.Y.Lu, W.Lu. Apamin As A Template For Structure-Based Rational Design of Potent Peptide Activators of P53. Angew.Chem.Int.Ed.Engl. V. 48 8712 2009.
ISSN: ISSN 1433-7851
PubMed: 19827079
DOI: 10.1002/ANIE.200904550