Atomistry » Chlorine » PDB 6q96-6qig » 6q9s
Atomistry »
  Chlorine »
    PDB 6q96-6qig »
      6q9s »

Chlorine in PDB 6q9s: Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes

Protein crystallography data

The structure of Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9s was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.95 / 2.40
Space group P 64 2 2
Cell size a, b, c (Å), α, β, γ (°) 93.581, 93.581, 198.467, 90.00, 90.00, 120.00
R / Rfree (%) 24.9 / 26.8

Other elements in 6q9s:

The structure of Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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:

Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes (pdb code 6q9s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes, PDB code: 6q9s:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 1 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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:54.1
occ:1.00
CL1 A:HRN201 0.0 54.1 1.0
C2 A:HRN201 1.8 53.0 1.0
C9 A:HRN201 2.7 55.7 1.0
C3 A:HRN201 2.8 50.4 1.0
C12 A:HRN201 3.1 45.9 1.0
C34 A:HRN201 3.5 37.6 1.0
O35 A:HRN201 3.5 38.2 1.0
C21 A:HRN201 3.6 37.2 1.0
C90 A:HRN201 3.8 46.5 1.0
N22 A:HRN201 3.9 36.7 1.0
C8 A:HRN201 4.0 57.8 1.0
N36 A:HRN201 4.0 37.7 1.0
C4 A:HRN201 4.1 53.1 1.0
C20 A:HRN201 4.1 37.9 1.0
CB A:MET54 4.1 44.0 1.0
C45 A:HRN201 4.2 39.9 1.0
CAI A:O4B202 4.2 57.0 1.0
N14 A:HRN201 4.3 43.1 1.0
SD A:MET54 4.4 54.2 1.0
C24 A:HRN201 4.5 37.5 1.0
C6 A:HRN201 4.6 56.0 1.0
OAR A:O4B202 4.6 56.2 1.0
C38 A:HRN201 4.6 39.1 1.0
C19 A:HRN201 4.7 39.5 1.0
C25 A:HRN201 4.7 37.6 1.0
CAJ A:O4B202 4.9 57.0 1.0
CE A:MET54 4.9 53.3 1.0
CG A:MET54 4.9 46.9 1.0
OAP A:O4B202 4.9 57.4 1.0
O48 A:HRN201 4.9 41.4 1.0

Chlorine binding site 2 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 2 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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:63.8
occ:1.00
CL2 A:HRN201 0.0 63.8 1.0
C8 A:HRN201 1.7 57.8 1.0
C9 A:HRN201 2.7 55.7 1.0
C6 A:HRN201 2.7 56.0 1.0
CD1 A:LEU99 3.7 68.6 1.0
CB A:LEU99 3.7 69.4 1.0
CG A:LEU99 3.9 69.7 1.0
CE2 A:TYR100 4.0 73.1 1.0
CA A:PRO96 4.0 69.3 1.0
C2 A:HRN201 4.0 53.0 1.0
C4 A:HRN201 4.0 53.1 1.0
CE A:MET54 4.2 53.3 1.0
CD2 A:TYR100 4.2 72.6 1.0
CB A:PRO96 4.3 69.4 1.0
O A:PRO96 4.4 69.9 1.0
C3 A:HRN201 4.5 50.4 1.0
C A:PRO96 4.7 69.5 1.0
N A:PRO96 4.9 69.2 1.0

Chlorine binding site 3 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 3 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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:42.1
occ:1.00
CL3 A:HRN201 0.0 42.1 1.0
C30 A:HRN201 1.8 39.5 1.0
C31 A:HRN201 2.7 38.6 1.0
C28 A:HRN201 2.7 38.3 1.0
CD2 A:LEU99 3.5 69.4 1.0
CG A:LEU99 3.5 69.7 1.0
CD1 A:ILE61 3.8 42.4 1.0
CB A:LEU57 3.9 41.6 1.0
C24 A:HRN201 4.0 37.5 1.0
CZ A:PHE91 4.0 53.1 1.0
C26 A:HRN201 4.1 37.5 1.0
CD1 A:LEU99 4.3 68.6 1.0
CD1 A:LEU57 4.3 40.8 1.0
C25 A:HRN201 4.5 37.6 1.0
CG A:LEU57 4.6 41.0 1.0
CB A:LEU99 4.7 69.4 1.0
CE1 A:PHE91 4.7 53.8 1.0
CD1 A:LEU82 4.9 48.3 1.0
CD2 A:LEU82 4.9 49.1 1.0
CD2 A:LEU57 4.9 40.3 1.0
CG1 A:ILE61 5.0 42.8 1.0
CE2 A:PHE91 5.0 53.4 1.0
C A:LEU57 5.0 41.7 1.0

Chlorine binding site 4 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 4 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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
C:Cl201

b:62.1
occ:1.00
CL1 C:HRN201 0.0 62.1 1.0
C2 C:HRN201 1.8 59.4 1.0
C9 C:HRN201 2.7 60.3 1.0
C3 C:HRN201 2.7 57.4 1.0
C12 C:HRN201 3.1 55.0 1.0
CG C:MET54 3.4 47.3 1.0
C34 C:HRN201 3.4 54.7 1.0
C21 C:HRN201 3.5 52.5 1.0
O35 C:HRN201 3.5 55.3 1.0
N22 C:HRN201 3.7 51.6 1.0
C90 C:HRN201 3.9 55.2 1.0
N36 C:HRN201 4.0 56.8 1.0
C20 C:HRN201 4.0 51.4 1.0
C8 C:HRN201 4.0 60.9 1.0
C4 C:HRN201 4.0 58.0 1.0
CB C:MET54 4.2 42.4 1.0
C45 C:HRN201 4.3 58.4 1.0
N14 C:HRN201 4.3 53.5 1.0
C24 C:HRN201 4.4 50.6 1.0
CAI C:O4B206 4.5 85.2 1.0
C25 C:HRN201 4.5 50.6 1.0
C6 C:HRN201 4.6 59.7 1.0
C19 C:HRN201 4.6 51.5 1.0
OAR C:O4B206 4.6 83.9 1.0
C38 C:HRN201 4.6 57.8 1.0
SD C:MET54 4.7 55.6 1.0

Chlorine binding site 5 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 5 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 5 of Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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
C:Cl201

b:64.1
occ:1.00
CL2 C:HRN201 0.0 64.1 1.0
C8 C:HRN201 1.8 60.9 1.0
C9 C:HRN201 2.7 60.3 1.0
C6 C:HRN201 2.7 59.7 1.0
CD1 C:LEU99 3.5 55.2 1.0
CB C:PRO96 3.5 58.4 1.0
CG C:LEU99 3.6 55.2 1.0
CB C:LEU99 3.8 54.9 1.0
CA C:PRO96 4.0 58.1 1.0
C4 C:HRN201 4.0 58.0 1.0
C2 C:HRN201 4.1 59.4 1.0
O C:PRO96 4.5 58.5 1.0
C28 C:HRN201 4.5 48.6 1.0
CE1 C:TYR100 4.6 59.6 1.0
C30 C:HRN201 4.6 48.5 1.0
C3 C:HRN201 4.6 57.4 1.0
CZ C:TYR100 4.7 61.6 1.0
CE C:MET54 4.7 54.5 1.0
OH C:TYR100 4.7 63.3 1.0
C C:PRO96 4.8 58.0 1.0
C26 C:HRN201 4.8 48.8 1.0
CG C:PRO96 4.9 58.6 1.0
C31 C:HRN201 4.9 48.1 1.0
CL3 C:HRN201 5.0 47.6 1.0

Chlorine binding site 6 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 6 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 6 of Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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
C:Cl201

b:47.6
occ:1.00
CL3 C:HRN201 0.0 47.6 1.0
C30 C:HRN201 1.7 48.5 1.0
C31 C:HRN201 2.7 48.1 1.0
C28 C:HRN201 2.7 48.6 1.0
CD2 C:LEU99 3.4 56.0 1.0
CG C:LEU99 3.6 55.2 1.0
CD1 C:ILE61 3.7 42.5 1.0
CB C:LEU57 3.9 37.7 1.0
C24 C:HRN201 4.0 50.6 1.0
CZ C:PHE91 4.0 37.2 1.0
C26 C:HRN201 4.0 48.8 1.0
CD1 C:LEU99 4.3 55.2 1.0
CD1 C:LEU57 4.3 35.4 1.0
CE1 C:PHE91 4.4 37.3 1.0
C25 C:HRN201 4.5 50.6 1.0
CG C:LEU57 4.6 36.9 1.0
C C:LEU57 4.8 38.5 1.0
CB C:LEU99 4.8 54.9 1.0
CG1 C:ILE61 4.9 41.1 1.0
CA C:LEU57 5.0 38.2 1.0
O C:LEU57 5.0 38.2 1.0
CL2 C:HRN201 5.0 64.1 1.0

Chlorine binding site 7 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 7 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 7 of Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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:50.2
occ:1.00
CL1 B:HRN201 0.0 50.2 1.0
C2 B:HRN201 1.8 49.0 1.0
C9 B:HRN201 2.7 49.1 1.0
C3 B:HRN201 2.8 48.8 1.0
C12 B:HRN201 3.2 49.7 1.0
C90 B:HRN201 3.7 50.0 1.0
C34 B:HRN201 3.7 51.9 1.0
CB B:MET54 3.8 41.1 1.0
C21 B:HRN201 3.8 48.9 1.0
O35 B:HRN201 3.8 51.6 1.0
CAF A:O4B208 3.8 45.1 1.0
CG B:MET54 3.9 42.8 1.0
N22 B:HRN201 4.0 46.8 1.0
C8 B:HRN201 4.0 49.5 1.0
C4 B:HRN201 4.1 48.2 1.0
OAN A:O4B208 4.1 43.8 1.0
SD B:MET54 4.1 48.2 1.0
N36 B:HRN201 4.3 54.1 1.0
C20 B:HRN201 4.3 48.8 1.0
CAE A:O4B208 4.3 43.8 1.0
OAP A:O4B208 4.3 46.6 1.0
N14 B:HRN201 4.5 50.7 1.0
C45 B:HRN201 4.5 56.4 1.0
C24 B:HRN201 4.6 46.9 1.0
C6 B:HRN201 4.6 48.4 1.0
CAI A:O4B208 4.7 47.9 1.0
C25 B:HRN201 4.8 46.9 1.0
C19 B:HRN201 4.9 50.0 1.0
C38 B:HRN201 4.9 56.3 1.0
CA B:MET54 4.9 41.0 1.0
CE B:MET54 4.9 46.1 1.0

Chlorine binding site 8 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 8 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 8 of Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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:53.3
occ:1.00
CL2 B:HRN201 0.0 53.3 1.0
C8 B:HRN201 1.7 49.5 1.0
C9 B:HRN201 2.7 49.1 1.0
C6 B:HRN201 2.7 48.4 1.0
CB B:PRO96 3.5 43.3 1.0
CE2 B:TYR100 3.5 42.3 1.0
CZ B:PHE91 3.6 42.0 1.0
CA B:PRO96 3.6 43.5 1.0
CD1 B:LEU99 3.7 45.5 1.0
O B:PRO96 3.9 43.0 1.0
C2 B:HRN201 4.0 49.0 1.0
C4 B:HRN201 4.0 48.2 1.0
CB B:LEU99 4.0 42.5 1.0
CD2 B:TYR100 4.1 42.7 1.0
CG B:LEU99 4.1 43.5 1.0
CAA A:O4B208 4.1 47.2 1.0
C B:PRO96 4.3 43.3 1.0
CE2 B:PHE91 4.4 42.1 1.0
CZ B:TYR100 4.4 42.6 1.0
CE1 B:PHE91 4.4 41.8 1.0
OH B:TYR100 4.5 42.8 1.0
CAB A:O4B208 4.5 46.1 1.0
C3 B:HRN201 4.6 48.8 1.0
N B:PRO96 4.8 43.9 1.0
CG B:PRO96 4.9 43.1 1.0
OAM A:O4B208 4.9 50.5 1.0

Chlorine binding site 9 out of 9 in 6q9s

Go back to Chlorine Binding Sites List in 6q9s
Chlorine binding site 9 out of 9 in the Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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 9 of Hdmx (14-111; C17S) Complexed with Compound 14 at 2.4A: 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:43.5
occ:1.00
CL3 B:HRN201 0.0 43.5 1.0
C30 B:HRN201 1.8 45.6 1.0
C28 B:HRN201 2.7 44.8 1.0
C31 B:HRN201 2.7 45.5 1.0
CD1 B:ILE61 3.5 45.6 1.0
CD2 B:LEU99 3.7 44.9 1.0
CG B:LEU99 3.9 43.5 1.0
C24 B:HRN201 4.0 46.9 1.0
C26 B:HRN201 4.1 45.2 1.0
CB B:LEU57 4.2 40.5 1.0
CD1 B:LEU57 4.2 39.1 1.0
CD2 B:LEU82 4.5 39.9 1.0
C25 B:HRN201 4.5 46.9 1.0
CE2 B:PHE91 4.6 42.1 1.0
CD1 B:LEU82 4.7 39.5 1.0
CG B:LEU57 4.7 40.6 1.0
CG1 B:ILE61 4.7 45.6 1.0
CD2 B:PHE91 4.8 41.0 1.0
CD1 B:LEU99 4.8 45.5 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 18:50:56 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy