Atomistry » Chlorine » PDB 4zyb-5a95 » 4zyc
Atomistry »
  Chlorine »
    PDB 4zyb-5a95 »
      4zyc »

Chlorine in PDB 4zyc: Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5

Protein crystallography data

The structure of Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5, PDB code: 4zyc 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 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.020, 49.780, 75.287, 90.00, 92.77, 90.00
R / Rfree (%) 22 / 25.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5 (pdb code 4zyc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5, PDB code: 4zyc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4zyc

Go back to Chlorine Binding Sites List in 4zyc
Chlorine binding site 1 out of 3 in the Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:37.6
occ:1.00
CL1 A:4SS201 0.0 37.6 1.0
C2 A:4SS201 1.8 29.1 1.0
C10 A:4SS201 2.7 27.9 1.0
C3 A:4SS201 2.7 27.7 1.0
CE2 A:PHE86 3.3 27.6 1.0
CZ A:PHE86 3.5 27.7 1.0
CZ A:PHE91 3.7 21.3 1.0
CG2 A:ILE99 4.0 21.3 1.0
CE1 A:PHE91 4.0 22.9 1.0
C8 A:4SS201 4.0 24.1 1.0
C5 A:4SS201 4.0 25.6 1.0
CD1 A:LEU57 4.1 20.2 1.0
CD1 A:ILE61 4.3 17.5 1.0
CB A:LEU57 4.3 17.7 1.0
C7 A:4SS201 4.5 23.8 1.0
CD2 A:PHE86 4.6 27.4 1.0
CG1 A:ILE99 4.7 21.4 1.0
CG A:LEU57 4.7 19.3 1.0
CE2 A:PHE91 4.8 20.6 1.0
CD1 A:ILE103 4.8 23.9 1.0
CE1 A:PHE86 4.9 25.9 1.0
CB A:ILE99 5.0 21.1 1.0
CD2 A:LEU54 5.0 19.0 1.0

Chlorine binding site 2 out of 3 in 4zyc

Go back to Chlorine Binding Sites List in 4zyc
Chlorine binding site 2 out of 3 in the Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:34.2
occ:1.00
CL1 A:4SS202 0.0 34.2 1.0
C2 A:4SS202 1.8 28.0 1.0
C10 A:4SS202 2.7 26.3 1.0
C3 A:4SS202 2.7 27.6 1.0
CE2 C:PHE86 3.5 31.4 1.0
CD1 C:ILE61 3.7 20.6 1.0
CZ C:PHE86 3.7 31.9 1.0
CZ C:PHE91 4.0 25.7 1.0
C8 A:4SS202 4.0 25.4 1.0
CD1 C:LEU57 4.0 24.0 1.0
C5 A:4SS202 4.1 26.2 1.0
CG2 C:ILE99 4.1 22.9 1.0
CB C:LEU57 4.1 21.5 1.0
CE1 C:PHE91 4.2 26.4 1.0
C7 A:4SS202 4.5 25.3 1.0
CG C:LEU57 4.6 22.6 1.0
CD1 C:ILE103 4.7 24.5 1.0
CD2 C:PHE86 4.8 31.5 1.0
CD2 C:LEU57 4.8 23.7 1.0
CE2 C:PHE91 5.0 27.0 1.0
CG1 C:ILE61 5.0 21.5 1.0
CG1 C:ILE99 5.0 22.7 1.0

Chlorine binding site 3 out of 3 in 4zyc

Go back to Chlorine Binding Sites List in 4zyc
Chlorine binding site 3 out of 3 in the Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode: HDM2 (MDM2) Complexed with CPD5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:37.2
occ:1.00
CL1 B:4SS201 0.0 37.2 1.0
C2 B:4SS201 1.7 29.3 1.0
C10 B:4SS201 2.7 28.2 1.0
C3 B:4SS201 2.7 27.7 1.0
CE2 B:PHE86 3.5 30.7 1.0
CZ B:PHE86 3.7 31.2 1.0
CZ B:PHE91 3.8 23.9 1.0
CE1 B:PHE91 3.9 24.5 1.0
C8 B:4SS201 4.0 24.9 1.0
C5 B:4SS201 4.0 25.2 1.0
CD1 B:ILE61 4.1 20.9 1.0
CG2 B:ILE99 4.2 29.9 1.0
CD1 B:LEU57 4.3 23.4 1.0
CB B:LEU57 4.4 20.8 1.0
C7 B:4SS201 4.5 24.1 1.0
CD1 B:ILE103 4.5 26.1 1.0
CG1 B:ILE99 4.6 29.2 1.0
CD2 B:PHE86 4.8 31.4 1.0
CE2 B:PHE91 4.9 24.9 1.0
CG B:LEU57 4.9 22.4 1.0

Reference:

F.Gessier, J.Kallen, E.Jacoby, P.Chene, T.Stachyra-Valat, S.Ruetz, S.Jeay, P.Holzer, K.Masuya, P.Furet. Discovery of Dihydroisoquinolinone Derivatives As Novel Inhibitors of the P53-MDM2 Interaction with A Distinct Binding Mode. Bioorg.Med.Chem.Lett. V. 25 3621 2015.
ISSN: ESSN 1464-3405
PubMed: 26141769
DOI: 10.1016/J.BMCL.2015.06.058
Page generated: Sat Dec 12 11:29:14 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy