Chlorine in PDB 3u15: Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443

The structure of Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443, PDB code: 3u15 was solved by C.M.Lukacs, C.A.Janson, B.J.Graves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.50 / 1.80
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	73.031, 73.031, 68.774, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 23.8

The structure of Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443 also contains other interesting chemical elements:

Fluorine

(F)

8 atoms

The binding sites of Chlorine atom in the Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443 (pdb code 3u15). 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 Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443, PDB code: 3u15:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:36.6 occ:1.00 CL A:03M1 0.0 36.6 1.0 C2 A:03M1 1.8 27.1 1.0 C1 A:03M1 2.7 28.0 1.0 C3 A:03M1 2.7 26.4 1.0 C27 A:03M1 3.1 27.2 1.0 CG2 A:ILE60 3.4 17.1 1.0 C15 B:03M1 3.5 23.0 1.0 C24 B:03M1 3.5 30.2 1.0 O17 B:03M1 3.7 25.2 1.0 N14 B:03M1 3.7 24.1 1.0 C11 B:03M1 3.8 21.8 1.0 C19 B:03M1 3.8 32.3 1.0 C23 B:03M1 3.9 27.9 1.0 CB A:ILE60 3.9 17.5 1.0 C4 A:03M1 4.0 28.1 1.0 C9 A:03M1 4.0 26.5 1.0 CA A:GLY57 4.0 24.7 1.0 C13 B:03M1 4.1 24.6 1.0 CD1 A:ILE60 4.2 15.9 1.0 N12 B:03M1 4.2 19.4 1.0 C18 B:03M1 4.3 27.4 1.0 F25 B:03M1 4.3 30.9 1.0 C10 B:03M1 4.3 22.0 1.0 O A:GLY57 4.4 24.9 1.0 C20 B:03M1 4.4 27.6 1.0 C22 B:03M1 4.4 27.5 1.0 C8 A:03M1 4.5 30.6 1.0 CG1 A:ILE60 4.6 17.0 1.0 C21 B:03M1 4.7 28.0 1.0 C A:GLY57 4.7 23.4 1.0 CG2 A:VAL92 4.7 32.2 1.0 O16 B:03M1 4.9 19.8 1.0 CG2 A:VAL74 4.9 27.5 1.0

Chlorine binding site 2 out of 4 in the Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:27.6 occ:1.00 CL B:03M1 0.0 27.6 1.0 C2 B:03M1 1.8 20.3 1.0 C3 B:03M1 2.8 22.8 1.0 C1 B:03M1 2.8 24.9 1.0 C27 B:03M1 3.0 26.8 1.0 C20 A:03M1 3.7 24.6 1.0 C15 A:03M1 3.7 26.3 1.0 C19 A:03M1 3.8 26.8 1.0 CD1 B:ILE60 3.8 28.9 1.0 CG2 B:ILE60 3.9 31.0 1.0 N14 A:03M1 3.9 24.0 1.0 CG2 B:VAL92 3.9 34.9 1.0 C21 A:03M1 3.9 25.8 1.0 O17 A:03M1 4.0 30.4 1.0 C11 A:03M1 4.0 25.7 1.0 C24 A:03M1 4.1 25.9 1.0 C9 B:03M1 4.1 21.0 1.0 C4 B:03M1 4.1 19.6 1.0 C13 A:03M1 4.1 24.8 1.0 CB B:ILE60 4.1 29.0 1.0 C22 A:03M1 4.2 27.8 1.0 C23 A:03M1 4.3 24.6 1.0 N12 A:03M1 4.3 25.7 1.0 C18 A:03M1 4.4 27.6 1.0 CG1 B:ILE60 4.6 30.9 1.0 CA B:GLY57 4.6 27.7 1.0 C8 B:03M1 4.6 22.6 1.0 C10 A:03M1 4.6 25.6 1.0 CG2 B:VAL74 4.7 14.4 1.0 O B:GLY57 4.8 26.2 1.0 O16 A:03M1 4.8 24.2 1.0 CB B:VAL92 4.9 36.8 1.0

Chlorine binding site 3 out of 4 in the Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1 b:26.4 occ:1.00 CL C:03M1 0.0 26.4 1.0 C2 C:03M1 1.7 24.0 1.0 C1 C:03M1 2.6 29.3 1.0 C3 C:03M1 2.7 23.9 1.0 C27 C:03M1 3.1 20.1 1.0 CG2 C:ILE60 3.5 38.0 1.0 CB C:ILE60 3.6 30.7 1.0 C15 D:03M1 3.7 37.1 1.0 O17 D:03M1 3.7 47.4 1.0 C11 D:03M1 3.9 33.8 1.0 C4 C:03M1 4.0 27.7 1.0 C9 C:03M1 4.0 24.6 1.0 CA C:GLY57 4.1 24.6 1.0 CD1 C:ILE60 4.1 30.6 1.0 N14 D:03M1 4.2 34.4 1.0 C10 D:03M1 4.2 29.0 1.0 C20 D:03M1 4.2 36.5 1.0 C19 D:03M1 4.2 39.6 1.0 C24 D:03M1 4.3 45.9 1.0 CG2 C:VAL92 4.3 22.7 1.0 CG1 C:ILE60 4.3 26.1 1.0 C21 D:03M1 4.4 37.4 1.0 C8 C:03M1 4.4 26.0 1.0 N12 D:03M1 4.4 28.6 1.0 C23 D:03M1 4.4 41.9 1.0 C22 D:03M1 4.5 42.5 1.0 C13 D:03M1 4.5 35.3 1.0 O C:GLY57 4.5 21.2 1.0 C C:GLY57 4.8 26.8 1.0 C18 D:03M1 4.8 35.1 1.0 CA C:ILE60 4.9 31.4 1.0 N C:GLY57 4.9 23.9 1.0 CG2 C:VAL74 4.9 30.9 1.0

Chlorine binding site 4 out of 4 in the Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Hdmx with Dimer Inducing Indolyl Hydantoin Ro-2443 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1 b:30.3 occ:1.00 CL D:03M1 0.0 30.3 1.0 C2 D:03M1 1.8 21.2 1.0 C1 D:03M1 2.8 23.5 1.0 C3 D:03M1 2.8 21.0 1.0 C27 D:03M1 3.1 23.2 1.0 CD1 D:ILE60 3.7 21.9 1.0 C20 C:03M1 3.7 28.5 1.0 C21 C:03M1 3.8 30.6 1.0 CA D:GLY57 3.9 22.9 1.0 C15 C:03M1 3.9 27.3 1.0 CG2 D:ILE60 3.9 25.0 1.0 CB D:ILE60 4.0 27.8 1.0 C11 C:03M1 4.0 27.8 1.0 C9 D:03M1 4.1 23.4 1.0 C19 C:03M1 4.1 27.7 1.0 C4 D:03M1 4.1 24.5 1.0 N14 C:03M1 4.1 26.6 1.0 O17 C:03M1 4.2 31.1 1.0 C22 C:03M1 4.2 32.2 1.0 CG2 D:VAL92 4.2 28.6 1.0 C13 C:03M1 4.3 28.6 1.0 N12 C:03M1 4.3 26.1 1.0 CG1 D:ILE60 4.4 27.9 1.0 O D:GLY57 4.4 18.5 1.0 C24 C:03M1 4.5 28.0 1.0 C10 C:03M1 4.5 25.7 1.0 C23 C:03M1 4.5 30.8 1.0 C8 D:03M1 4.6 22.6 1.0 O D:LEU56 4.6 31.6 1.0 C D:GLY57 4.7 19.9 1.0 C18 C:03M1 4.7 28.2 1.0 N D:GLY57 4.8 26.1 1.0 F26 C:03M1 4.9 39.5 1.0 CG2 D:VAL74 5.0 24.0 1.0

B.Graves, T.Thompson, M.Xia, C.Janson, C.Lukacs, D.Deo, P.Di Lello, D.Fry, C.Garvie, K.S.Huang, L.Gao, C.Tovar, A.Lovey, J.Wanner, L.T.Vassilev. Activation of the P53 Pathway By Small-Molecule-Induced MDM2 and Mdmx Dimerization. Proc.Natl.Acad.Sci.Usa V. 109 11788 2012.
ISSN: ISSN 0027-8424
PubMed: 22745160
DOI: 10.1073/PNAS.1203789109