Chlorine in PDB 6q9u: Hdmx (14-111; C17S) Complexed with Compound 12 at 2.4A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes

The structure of Hdmx (14-111; C17S) Complexed with Compound 12 at 2.4A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9u was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.08 / 2.40
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	45.403, 45.403, 55.825, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 26.5

The binding sites of Chlorine atom in the Hdmx (14-111; C17S) Complexed with Compound 12 at 2.4A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes (pdb code 6q9u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hdmx (14-111; C17S) Complexed with Compound 12 at 2.4A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hdmx (14-111; C17S) Complexed with Compound 12 at 2.4A; 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 Hdmx (14-111; C17S) Complexed with Compound 12 at 2.4A; 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:56.4 occ:1.00 CL A:HRE201 0.0 56.4 1.0 C35 A:HRE201 1.7 51.3 1.0 C34 A:HRE201 2.7 51.0 1.0 C37 A:HRE201 2.7 50.4 1.0 CG A:PRO96 2.8 45.1 1.0 OH A:TYR100 3.4 37.5 1.0 CB A:PRO96 3.5 44.9 1.0 CE1 A:TYR100 3.5 36.2 1.0 CZ A:TYR100 3.8 36.4 1.0 N36 A:HRE201 3.9 50.4 1.0 C32 A:HRE201 4.0 48.5 1.0 CD A:PRO96 4.1 45.7 1.0 O A:VAL93 4.2 47.7 1.0 CD2 A:LEU99 4.3 32.8 1.0 C33 A:HRE201 4.5 49.1 1.0 CD1 A:TYR100 4.6 35.3 1.0 O A:HOH342 4.7 41.9 1.0 CA A:PRO96 4.9 44.6 1.0 CE2 A:TYR100 5.0 35.7 1.0

Chlorine binding site 2 out of 2 in the Hdmx (14-111; C17S) Complexed with Compound 12 at 2.4A; 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 Hdmx (14-111; C17S) Complexed with Compound 12 at 2.4A; 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:Cl203 b:55.3 occ:1.00 OH A:TYR56 3.5 38.9 1.0 NE2 A:GLN59 3.6 28.6 1.0 CE1 A:TYR56 3.7 36.5 1.0 CZ A:TYR56 4.1 37.6 1.0 NE2 A:HIS55 4.3 32.9 1.0 OE1 A:GLN59 4.4 30.1 1.0 CD A:GLN59 4.5 30.8 1.0 CD1 A:TYR56 4.9 34.0 1.0 O A:ALA41 5.0 35.7 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