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Chlorine 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:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6q9o

Go back to Chlorine Binding Sites List in 6q9o
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl201

b:8.7
occ:1.00
 CL1 A:HU8201 0.0 8.7 1.0
C45 A:HU8201 1.7 7.0 1.0
C43 A:HU8201 2.7 7.1 1.0
C46 A:HU8201 2.7 6.9 1.0
CD1 A:ILE61 3.5 8.5 1.0
CZ A:PHE91 3.8 7.7 1.0
CG2 A:ILE99 3.8 8.3 1.0
CE1 A:PHE91 3.8 7.2 1.0
C41 A:HU8201 4.0 7.0 1.0
C39 A:HU8201 4.0 6.9 1.0
CD1 A:ILE99 4.2 8.6 1.0
CE2 A:PHE86 4.4 9.6 1.0
C40 A:HU8201 4.5 6.7 1.0
CG1 A:ILE99 4.6 7.8 1.0
CZ A:PHE86 4.6 10.1 1.0
CD1 A:LEU54 4.7 9.2 1.0
CB A:LEU57 4.8 7.7 1.0
CB A:ILE99 4.8 7.0 1.0
CG1 A:ILE61 4.9 8.0 1.0

Chlorine binding site 2 out of 4 in 6q9o

Go back to Chlorine Binding Sites List in 6q9o
Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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
A:Cl201

b:8.2
occ:1.00
 CL2 A:HU8201 0.0 8.2 1.0
C3 A:HU8201 1.7 7.2 1.0
C2 A:HU8201 2.7 8.1 1.0
C4 A:HU8201 2.7 7.2 1.0
F1 A:HU8201 2.9 9.8 1.0
CA A:HIS96 3.6 6.5 1.0
CD1 A:LEU54 3.7 9.2 1.0
CG2 A:ILE99 3.7 8.3 1.0
CD2 A:HIS96 3.7 7.4 1.0
O A:HIS96 3.7 6.6 1.0
CB A:HIS96 3.8 7.2 1.0
CB A:ILE99 3.8 7.0 1.0
CG A:HIS96 3.8 7.3 1.0
CD1 A:ILE99 3.9 8.6 1.0
C9 A:HU8201 4.0 9.1 1.0
C6 A:HU8201 4.0 7.1 1.0
CD1 A:TYR100 4.1 7.5 1.0
CE1 A:TYR100 4.1 9.2 1.0
C A:HIS96 4.1 6.4 1.0
CD2 A:LEU54 4.2 10.1 1.0
CG1 A:ILE99 4.4 7.8 1.0
C7 A:HU8201 4.5 7.8 1.0
NE2 A:HIS96 4.6 7.6 1.0
CG A:LEU54 4.6 8.0 1.0
ND1 A:HIS96 4.6 9.1 1.0
N A:HIS96 4.8 7.2 1.0
N A:TYR100 5.0 6.2 1.0
O A:VAL93 5.0 7.7 1.0

Chlorine binding site 3 out of 4 in 6q9o

Go back to Chlorine Binding Sites List in 6q9o
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl201

b:11.9
occ:1.00
 CL1 B:HU8201 0.0 11.9 1.0
C45 B:HU8201 1.7 8.3 1.0
C43 B:HU8201 2.7 8.3 1.0
C46 B:HU8201 2.7 8.9 1.0
CD1 B:ILE61 3.5 8.1 1.0
CE1 B:PHE91 3.9 11.2 1.0
CZ B:PHE91 3.9 10.4 1.0
C41 B:HU8201 4.0 8.2 1.0
C39 B:HU8201 4.0 7.7 1.0
CG2 B:ILE99 4.1 10.0 1.0
CD1 B:ILE99 4.4 12.5 1.0
C40 B:HU8201 4.5 7.3 1.0
CB B:LEU57 4.7 7.6 1.0
CE2 B:PHE86 4.9 11.5 1.0
CG1 B:ILE61 5.0 7.5 1.0

Chlorine binding site 4 out of 4 in 6q9o

Go back to Chlorine Binding Sites List in 6q9o
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl201

b:11.2
occ:1.00
 CL2 B:HU8201 0.0 11.2 1.0
C3 B:HU8201 1.7 9.1 1.0
C4 B:HU8201 2.7 8.9 1.0
C2 B:HU8201 2.7 8.9 1.0
F1 B:HU8201 2.9 11.1 1.0
CE1 B:TYR100 3.6 8.7 1.0
CG B:HIS96 3.6 7.9 1.0
CB B:HIS96 3.7 8.3 1.0
CD2 B:HIS96 3.7 8.3 1.0
CG2 B:ILE99 3.8 10.0 1.0
CD1 B:ILE99 3.8 12.5 1.0
CD1 B:TYR100 3.8 8.0 1.0
CB B:ILE99 3.8 8.8 1.0
CA B:HIS96 3.9 8.1 1.0
CD1 B:LEU54 4.0 9.6 1.0
C6 B:HU8201 4.0 8.0 1.0
C9 B:HU8201 4.0 9.7 1.0
O B:HIS96 4.1 8.0 1.0
ND1 B:HIS96 4.3 8.8 1.0
CG1 B:ILE99 4.4 10.7 1.0
NE2 B:HIS96 4.4 8.3 1.0
C B:HIS96 4.5 7.7 1.0
C7 B:HU8201 4.6 9.0 1.0
CE1 B:HIS96 4.7 9.3 1.0
CZ B:TYR100 4.8 7.7 1.0
C46 B:HU8201 4.9 8.9 1.0
C45 B:HU8201 5.0 8.3 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 18:50:03 2025

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