Atomistry » Chlorine » PDB 6q91-6qie » 6q9o
Atomistry »
  Chlorine »
    PDB 6q91-6qie »
      6q9o »

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: Mon Jul 29 13:51:47 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy