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Chlorine in PDB 6q9h: HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes

Enzymatic activity of HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes

All present enzymatic activity of HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes:
2.3.2.27;

Protein crystallography data

The structure of HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9h was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 56.611, 56.611, 102.641, 90.00, 90.00, 120.00
R / Rfree (%) 23.3 / 26.6

Other elements in 6q9h:

The structure of HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes (pdb code 6q9h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6q9h

Go back to Chlorine Binding Sites List in 6q9h
Chlorine binding site 1 out of 2 in the HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; 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 HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; 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:20.9
occ:1.00
 CL1 A:HRH201 0.0 20.9 1.0
C36 A:HRH201 1.7 19.8 1.0
C37 A:HRH201 2.7 20.8 1.0
C34 A:HRH201 2.7 20.4 1.0
CD1 A:ILE61 3.7 16.3 1.0
CZ A:PHE86 3.9 17.1 1.0
CE2 A:PHE86 4.0 18.3 1.0
CB A:LEU57 4.0 12.6 1.0
CG2 A:ILE99 4.0 15.7 1.0
C39 A:HRH201 4.0 21.5 1.0
C33 A:HRH201 4.0 20.9 1.0
CD1 A:LEU57 4.2 14.1 1.0
CZ A:PHE91 4.2 15.9 1.0
CE1 A:PHE91 4.5 16.8 1.0
CG A:LEU57 4.5 13.0 1.0
C32 A:HRH201 4.6 22.2 1.0
CD1 A:ILE103 4.7 13.2 1.0
CD2 A:LEU57 4.8 12.5 1.0
CG1 A:ILE61 4.9 17.9 1.0
C A:LEU57 5.0 13.3 1.0

Chlorine binding site 2 out of 2 in 6q9h

Go back to Chlorine Binding Sites List in 6q9h
Chlorine binding site 2 out of 2 in the HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; 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 HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; 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:28.0
occ:1.00
 CL2 A:HRH201 0.0 28.0 1.0
C3 A:HRH201 1.8 26.1 1.0
C4 A:HRH201 2.7 27.1 1.0
C2 A:HRH201 2.7 25.4 1.0
F1 A:HRH201 2.9 24.8 1.0
CE1 A:TYR100 3.6 18.1 1.0
CG2 A:ILE99 3.6 15.7 1.0
CG A:HIS96 3.6 26.1 1.0
O A:HIS96 3.7 22.4 1.0
CA A:HIS96 3.8 23.9 1.0
CB A:HIS96 3.8 24.2 1.0
CB A:ILE99 3.8 15.7 1.0
ND1 A:HIS96 3.9 26.8 1.0
CD1 A:TYR100 3.9 17.6 1.0
CD2 A:HIS96 3.9 26.8 1.0
C6 A:HRH201 4.0 26.2 1.0
CZ A:TYR100 4.1 18.9 1.0
C10 A:HRH201 4.1 25.8 1.0
C A:HIS96 4.2 23.1 1.0
CD1 A:ILE99 4.3 12.7 1.0
CD2 A:LEU54 4.3 14.4 1.0
CE1 A:HIS96 4.3 27.4 1.0
NE2 A:HIS96 4.4 28.6 1.0
OH A:TYR100 4.4 20.3 1.0
C8 A:HRH201 4.5 26.8 1.0
CG A:TYR100 4.6 16.6 1.0
CG1 A:ILE99 4.7 14.7 1.0
N A:TYR100 4.7 15.6 1.0
CE2 A:TYR100 4.7 19.5 1.0
CD2 A:TYR100 5.0 18.1 1.0

Reference:

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
Page generated: Sat Jul 12 18:49:36 2025

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