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Fluorine in PDB 6q9o: HDM2 (17-111, Wildtype) Complexed with Compound 10 at 1.21A; 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, Wildtype) Complexed with Compound 10 at 1.21A; 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, Wildtype) Complexed with Compound 10 at 1.21A; 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, Wildtype) Complexed with Compound 10 at 1.21A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9o 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 / 1.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 37.929, 58.976, 39.880, 90.00, 106.82, 90.00
R / Rfree (%) 14.5 / 15.6

Other elements in 6q9o:

The structure of HDM2 (17-111, Wildtype) Complexed with Compound 10 at 1.21A; 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) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the HDM2 (17-111, Wildtype) Complexed with Compound 10 at 1.21A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes (pdb code 6q9o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the HDM2 (17-111, Wildtype) Complexed with Compound 10 at 1.21A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9o:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6q9o

Go back to Fluorine Binding Sites List in 6q9o
Fluorine binding site 1 out of 2 in the HDM2 (17-111, Wildtype) Complexed with Compound 10 at 1.21A; 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, Wildtype) Complexed with Compound 10 at 1.21A; 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:9.8
occ:1.00
 F1 A:HU8201 0.0 9.8 1.0
C2 A:HU8201 1.3 8.1 1.0
C3 A:HU8201 2.4 7.2 1.0
C9 A:HU8201 2.4 9.1 1.0
CL2 A:HU8201 2.9 8.2 1.0
O A:HOH377 3.2 20.2 1.0
O A:HOH309 3.4 17.1 1.0
ND1 A:HIS96 3.5 9.1 1.0
O A:HOH312 3.6 16.3 1.0
CG A:HIS96 3.6 7.3 1.0
C4 A:HU8201 3.6 7.2 1.0
C7 A:HU8201 3.6 7.8 1.0
CD2 A:LEU54 3.7 10.1 1.0
CE1 A:HIS96 3.9 9.1 1.0
CB A:HIS96 4.0 7.2 1.0
CD2 A:HIS96 4.0 7.4 1.0
C6 A:HU8201 4.1 7.1 1.0
NE2 A:HIS96 4.1 7.6 1.0
O B:HOH382 4.1 22.2 1.0
CE1 A:TYR100 4.2 9.2 1.0
CG1 A:ILE19 4.3 9.3 1.0
CA A:HIS96 4.9 6.5 1.0
CD1 A:TYR100 4.9 7.5 1.0
CG A:LEU54 4.9 8.0 1.0
CD1 A:LEU54 4.9 9.2 1.0

Fluorine binding site 2 out of 2 in 6q9o

Go back to Fluorine Binding Sites List in 6q9o
Fluorine binding site 2 out of 2 in the HDM2 (17-111, Wildtype) Complexed with Compound 10 at 1.21A; 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 2 of HDM2 (17-111, Wildtype) Complexed with Compound 10 at 1.21A; 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:F201

b:11.1
occ:1.00
 F1 B:HU8201 0.0 11.1 1.0
C2 B:HU8201 1.3 8.9 1.0
C3 B:HU8201 2.3 9.1 1.0
C9 B:HU8201 2.4 9.7 1.0
CL2 B:HU8201 2.9 11.2 1.0
ND1 B:HIS96 3.3 8.8 1.0
O B:HOH310 3.5 12.3 1.0
CD2 B:LEU54 3.5 10.1 1.0
C4 B:HU8201 3.6 8.9 1.0
C7 B:HU8201 3.6 9.0 1.0
CG B:HIS96 3.7 7.9 1.0
CE1 B:HIS96 3.7 9.3 1.0
CE1 B:TYR100 3.8 8.7 1.0
CD1 B:LEU54 4.0 9.6 1.0
C6 B:HU8201 4.1 8.0 1.0
OH B:TYR100 4.1 8.9 1.0
CB B:HIS96 4.1 8.3 1.0
NE2 B:GLN24 4.2 9.2 1.0
NE2 B:HIS96 4.2 8.3 1.0
CD2 B:HIS96 4.2 8.3 1.0
CZ B:TYR100 4.3 7.7 1.0
CG B:LEU54 4.4 7.7 1.0
C61 A:HU8201 4.5 12.2 1.0
CD1 B:TYR100 4.7 8.0 1.0
O B:HOH331 4.8 11.8 1.0
CD1 B:ILE19 4.9 10.7 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: Fri Aug 2 00:44:41 2024

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