Fluorine 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:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine was 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:

Fluorine binding site 1 out of 1 in 6q9h

Go back to Fluorine Binding Sites List in 6q9h
Fluorine binding site 1 out of 1 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 Fluorine with other atoms in the F 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:F201

b:24.8
occ:1.00
F1 A:HRH201 0.0 24.8 1.0
C2 A:HRH201 1.3 25.4 1.0
C3 A:HRH201 2.3 26.1 1.0
C10 A:HRH201 2.4 25.8 1.0
N11 A:HRH201 2.8 25.4 1.0
CL2 A:HRH201 2.9 28.0 1.0
C39 A:HRH201 3.1 21.5 1.0
C32 A:HRH201 3.4 22.2 1.0
CD1 A:ILE99 3.4 12.7 1.0
C30 A:HRH201 3.4 25.4 1.0
NE2 A:HIS96 3.5 28.6 1.0
CD2 A:HIS96 3.6 26.8 1.0
O31 A:HRH201 3.6 28.2 1.0
C4 A:HRH201 3.6 27.1 1.0
C37 A:HRH201 3.6 20.8 1.0
C8 A:HRH201 3.6 26.8 1.0
C12 A:HRH201 3.7 24.5 1.0
O A:VAL93 3.8 25.8 1.0
C33 A:HRH201 4.0 20.9 1.0
CE1 A:HIS96 4.1 27.4 1.0
C6 A:HRH201 4.1 26.2 1.0
CG A:HIS96 4.2 26.1 1.0
C36 A:HRH201 4.2 19.8 1.0
CG2 A:ILE99 4.3 15.7 1.0
C15 A:HRH201 4.4 25.3 1.0
C34 A:HRH201 4.4 20.4 1.0
ND1 A:HIS96 4.5 26.8 1.0
C14 A:HRH201 4.5 24.7 1.0
CG1 A:ILE99 4.6 14.7 1.0
CB A:ILE99 4.6 15.7 1.0
C A:VAL93 4.7 25.7 1.0
CA A:VAL93 4.8 24.9 1.0
C42 A:HRH201 4.9 21.9 1.0
CA A:HIS96 5.0 23.9 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: Sun Dec 13 13:08:00 2020

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