Chlorine in PDB 6q9w: X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes

The structure of X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9w was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.38 / 1.55
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	47.152, 50.334, 92.377, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 24

The binding sites of Chlorine atom in the X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes (pdb code 6q9w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9w:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:24.6 occ:1.00 CL1 A:HRT201 0.0 24.6 1.0 C14 A:HRT201 1.8 22.1 1.0 C15 A:HRT201 2.7 21.3 1.0 C13 A:HRT201 2.8 20.8 1.0 CD1 A:ILE61 3.4 14.2 1.0 CD2 A:LEU99 3.5 14.8 1.0 CD1 A:LEU99 3.6 14.7 1.0 CB A:LEU57 3.7 17.4 1.0 C16 A:HRT201 4.1 20.4 1.0 C12 A:HRT201 4.1 21.0 1.0 CD1 A:LEU57 4.1 18.6 1.0 CG A:LEU99 4.2 13.9 1.0 CZ A:PHE91 4.2 12.0 1.0 C A:LEU57 4.3 16.0 1.0 O A:LEU57 4.4 15.3 1.0 CG A:LEU57 4.4 18.3 1.0 N A:GLY58 4.5 15.9 1.0 C11 A:HRT201 4.6 20.0 1.0 CA A:LEU57 4.7 16.3 1.0 CG1 A:ILE61 4.7 13.7 1.0 SD A:MET54 4.7 16.4 0.5 CE A:MET54 4.8 16.3 0.5 CE1 A:PHE91 4.8 12.2 1.0 CD2 A:LEU57 4.8 19.0 1.0 CA A:GLY58 5.0 16.1 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:23.5 occ:1.00 CL2 A:HRT201 0.0 23.5 1.0 C35 A:HRT201 1.7 22.2 1.0 C36 A:HRT201 2.7 21.4 1.0 C34 A:HRT201 2.7 22.5 1.0 CD2 A:LEU99 3.6 14.8 1.0 CA A:VAL93 3.8 12.6 1.0 CE1 A:PHE91 3.9 12.2 1.0 CG1 A:VAL93 4.0 13.9 1.0 C31 A:HRT201 4.0 21.1 1.0 CA A:PRO96 4.0 15.6 1.0 C33 A:HRT201 4.0 22.5 1.0 CB A:PRO96 4.0 16.5 1.0 CB A:VAL93 4.1 13.2 1.0 O A:VAL93 4.2 14.0 1.0 C15 A:HRT201 4.2 21.3 1.0 CG A:PRO96 4.2 16.4 1.0 C A:VAL93 4.5 13.1 1.0 O A:HOH330 4.5 24.6 1.0 C16 A:HRT201 4.5 20.4 1.0 CD1 A:PHE91 4.5 11.9 1.0 C32 A:HRT201 4.5 22.2 1.0 O A:SER92 4.6 11.7 1.0 CB A:LEU99 4.6 13.4 1.0 N A:PRO96 4.7 15.3 1.0 CG A:LEU99 4.8 13.9 1.0 N A:VAL93 4.8 12.0 1.0 C14 A:HRT201 4.8 22.1 1.0 CZ A:PHE91 5.0 12.0 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Compound 15 Bound to Hdmx: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:32.2 occ:1.00 CL1 B:HRT201 0.0 32.2 1.0 C14 B:HRT201 1.8 26.8 1.0 C13 B:HRT201 2.7 25.8 1.0 C15 B:HRT201 2.8 26.9 1.0 CD2 B:LEU99 3.2 24.8 1.0 CD1 B:ILE61 3.7 13.5 1.0 CE B:MET54 4.0 23.8 1.0 C12 B:HRT201 4.0 24.5 1.0 C16 B:HRT201 4.1 25.6 1.0 CD1 B:LEU99 4.1 24.1 1.0 CB B:LEU57 4.2 12.3 1.0 CG B:LEU99 4.3 23.4 1.0 CZ B:PHE91 4.4 13.2 1.0 CE1 B:PHE91 4.5 12.9 1.0 C11 B:HRT201 4.6 24.6 1.0 N B:GLY58 4.7 11.0 1.0 C B:LEU57 4.7 11.4 1.0 CD1 B:LEU57 4.8 13.8 1.0 O B:LEU57 4.9 10.9 1.0 CA B:GLY58 5.0 11.3 1.0

J.Kallen, A.Izaac, S.Chau, E.Wirth, J.Schoepfer, R.Mah, A.Schlapbach, S.Stutz, A.Vaupel, V.Guagnano, K.Masuya, T.M.Stachyra, B.Salem, P.Chene, F.Gessier, P.Holzer, P.Furet. Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes. Chemmedchem V. 14 1305 2019.
ISSN: ESSN 1860-7187
PubMed: 31066983
DOI: 10.1002/CMDC.201900201