Atomistry » Chlorine » PDB 5trc-5u09 » 5trf
Atomistry »
  Chlorine »
    PDB 5trc-5u09 »
      5trf »

Chlorine in PDB 5trf: MDM2 in Complex with SAR405838

Protein crystallography data

The structure of MDM2 in Complex with SAR405838, PDB code: 5trf was solved by J.L.Meagher, J.A.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.09 / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 138.849, 138.849, 83.707, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 20.8

Other elements in 5trf:

The structure of MDM2 in Complex with SAR405838 also contains other interesting chemical elements:

Fluorine (F) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the MDM2 in Complex with SAR405838 (pdb code 5trf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the MDM2 in Complex with SAR405838, PDB code: 5trf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 1 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:16.4
occ:1.00
CL2 A:7HC201 0.0 16.4 1.0
C26 A:7HC201 1.7 16.7 1.0
C25 A:7HC201 2.7 13.4 1.0
C27 A:7HC201 2.7 15.6 1.0
CD1 A:ILE61 3.7 12.8 1.0
CE2 A:PHE86 3.8 16.1 1.0
CZ A:PHE86 3.8 13.9 1.0
CG2 A:ILE99 3.8 12.2 1.0
CB A:LEU57 3.8 10.9 1.0
C24 A:7HC201 4.0 14.8 1.0
C28 A:7HC201 4.0 14.2 1.0
CD1 A:LEU57 4.0 14.0 1.0
CZ A:PHE91 4.2 15.4 1.0
CE1 A:PHE91 4.5 16.6 1.0
CG A:LEU57 4.5 14.1 1.0
C29 A:7HC201 4.5 14.0 1.0
CD1 A:ILE103 4.5 10.8 1.0
CD1 A:LEU54 4.6 12.3 1.0
CG1 A:ILE61 4.9 13.6 1.0
CD2 A:LEU57 4.9 17.3 1.0
C A:LEU57 5.0 15.8 1.0
CD2 A:LEU82 5.0 20.3 1.0
CG1 A:ILE103 5.0 11.3 1.0

Chlorine binding site 2 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 2 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:16.6
occ:1.00
CL1 A:7HC201 0.0 16.6 1.0
C20 A:7HC201 1.7 13.3 1.0
C21 A:7HC201 2.7 14.5 1.0
C19 A:7HC201 2.7 12.8 1.0
F A:7HC201 2.8 14.7 1.0
CB A:HIS96 3.4 12.9 1.0
CG A:HIS96 3.5 15.8 1.0
CD1 A:LEU54 3.6 12.3 1.0
CD2 A:TYR100 3.6 13.7 1.0
O A:HIS96 3.6 12.7 1.0
CE2 A:TYR100 3.7 14.8 1.0
CA A:HIS96 3.7 12.5 1.0
CD2 A:HIS96 3.8 17.1 1.0
CG2 A:ILE99 3.9 12.2 1.0
C18 A:7HC201 4.0 15.6 1.0
C16 A:7HC201 4.0 15.8 1.0
CB A:ILE99 4.0 10.8 1.0
CG A:LEU54 4.1 13.7 1.0
C A:HIS96 4.1 14.2 1.0
ND1 A:HIS96 4.2 17.1 1.0
CD1 A:ILE99 4.4 9.9 1.0
C17 A:7HC201 4.5 16.7 1.0
NE2 A:HIS96 4.5 16.7 1.0
CG2 A:THR16 4.7 18.1 1.0
CE1 A:HIS96 4.7 17.0 1.0
N A:TYR100 4.8 10.2 1.0
CG1 A:ILE99 4.9 11.3 1.0
CD2 A:LEU54 4.9 13.7 1.0
CG A:TYR100 4.9 13.6 1.0
N A:HIS96 5.0 14.9 1.0
CZ A:TYR100 5.0 18.2 1.0

Chlorine binding site 3 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 3 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:18.9
occ:1.00
CL2 B:7HC201 0.0 18.9 1.0
C26 B:7HC201 1.7 19.0 1.0
C25 B:7HC201 2.7 15.1 1.0
C27 B:7HC201 2.7 16.6 1.0
CD1 B:ILE61 3.8 20.6 1.0
CE2 B:PHE86 3.8 21.9 1.0
CB B:LEU57 3.8 12.0 1.0
CZ B:PHE86 3.8 20.6 1.0
CD1 B:LEU57 3.9 16.3 1.0
CG2 B:ILE99 4.0 16.2 1.0
C24 B:7HC201 4.0 16.9 1.0
C28 B:7HC201 4.0 18.6 1.0
CZ B:PHE91 4.1 16.4 1.0
CG B:LEU57 4.4 17.6 1.0
CD1 B:ILE103 4.5 16.1 1.0
C29 B:7HC201 4.5 18.8 1.0
CD1 B:LEU54 4.6 14.7 1.0
CE1 B:PHE91 4.6 18.2 1.0
CG1 B:ILE61 5.0 19.2 1.0
CD2 B:LEU82 5.0 22.6 1.0
CD1 B:LEU82 5.0 20.1 1.0

Chlorine binding site 4 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 4 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:19.0
occ:1.00
CL1 B:7HC201 0.0 19.0 1.0
C20 B:7HC201 1.7 18.9 1.0
C21 B:7HC201 2.7 18.3 1.0
C19 B:7HC201 2.7 14.7 1.0
F B:7HC201 2.8 17.8 1.0
CD2 B:TYR100 3.5 14.6 1.0
CB B:HIS96 3.5 13.8 1.0
O B:HIS96 3.6 17.4 1.0
CG B:HIS96 3.6 16.6 1.0
CA B:HIS96 3.7 13.9 1.0
CE2 B:TYR100 3.7 14.1 1.0
CD1 B:LEU54 3.7 14.7 1.0
CD2 B:HIS96 3.8 18.3 1.0
CG2 B:ILE99 3.9 16.2 1.0
C18 B:7HC201 4.0 17.8 1.0
C16 B:7HC201 4.0 18.6 1.0
C B:HIS96 4.1 18.5 1.0
CB B:ILE99 4.1 14.9 1.0
CG B:LEU54 4.2 16.4 1.0
ND1 B:HIS96 4.3 17.0 1.0
CG2 B:THR16 4.5 19.1 1.0
C17 B:7HC201 4.5 17.9 1.0
NE2 B:HIS96 4.6 18.2 1.0
CD1 B:ILE99 4.6 12.4 1.0
N B:TYR100 4.7 12.6 1.0
CE1 B:HIS96 4.8 17.6 1.0
CG B:TYR100 4.8 15.0 1.0
N B:HIS96 4.9 15.3 1.0
CD2 B:LEU54 4.9 15.9 1.0
CG1 B:ILE99 5.0 14.2 1.0

Chlorine binding site 5 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 5 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:15.7
occ:1.00
CL2 C:7HC201 0.0 15.7 1.0
C26 C:7HC201 1.7 16.5 1.0
C27 C:7HC201 2.7 16.1 1.0
C25 C:7HC201 2.7 15.4 1.0
CD1 C:ILE61 3.7 16.5 1.0
CZ C:PHE86 3.7 14.2 1.0
CB C:LEU57 3.7 13.8 1.0
CE2 C:PHE86 3.8 15.8 1.0
CD1 C:LEU57 3.9 17.8 1.0
CG2 C:ILE99 3.9 13.6 1.0
C28 C:7HC201 4.0 15.8 1.0
C24 C:7HC201 4.0 17.7 1.0
CZ C:PHE91 4.2 12.8 1.0
CG C:LEU57 4.3 18.5 1.0
CD1 C:ILE103 4.4 15.8 1.0
C29 C:7HC201 4.5 16.5 1.0
CD1 C:LEU54 4.5 15.6 1.0
CE1 C:PHE91 4.6 13.3 1.0
CD2 C:LEU57 4.8 23.4 1.0
CD2 C:LEU82 4.9 21.2 1.0
C C:LEU57 5.0 16.3 1.0
CA C:LEU57 5.0 14.7 1.0
CD1 C:LEU82 5.0 19.4 1.0
CE1 C:PHE86 5.0 15.4 1.0
CG1 C:ILE103 5.0 15.4 1.0

Chlorine binding site 6 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 6 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:18.1
occ:1.00
CL1 C:7HC201 0.0 18.1 1.0
C20 C:7HC201 1.7 17.9 1.0
C21 C:7HC201 2.7 17.7 1.0
C19 C:7HC201 2.7 15.1 1.0
F C:7HC201 2.8 16.7 1.0
CB C:HIS96 3.6 13.7 1.0
O C:HIS96 3.6 15.2 1.0
CD2 C:TYR100 3.6 15.3 1.0
CG C:HIS96 3.6 16.5 1.0
CD1 C:LEU54 3.7 15.6 1.0
CA C:HIS96 3.7 13.8 1.0
CE2 C:TYR100 3.7 16.6 1.0
CD2 C:HIS96 3.8 17.5 1.0
CG2 C:ILE99 3.9 13.6 1.0
C16 C:7HC201 4.0 18.8 1.0
C18 C:7HC201 4.0 17.6 1.0
CB C:ILE99 4.0 13.0 1.0
C C:HIS96 4.1 17.0 1.0
CG C:LEU54 4.2 16.5 1.0
ND1 C:HIS96 4.4 18.4 1.0
CD1 C:ILE99 4.5 11.0 1.0
C17 C:7HC201 4.5 18.6 1.0
NE2 C:HIS96 4.6 17.5 1.0
CG2 C:THR16 4.6 19.0 1.0
N C:TYR100 4.8 10.7 1.0
CE1 C:HIS96 4.8 17.7 1.0
CG1 C:ILE99 4.9 13.2 1.0
CG C:TYR100 4.9 13.9 1.0
CD2 C:LEU54 5.0 16.6 1.0
N C:HIS96 5.0 14.8 1.0

Chlorine binding site 7 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 7 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:22.9
occ:1.00
CL2 D:7HC201 0.0 22.9 1.0
C26 D:7HC201 1.7 20.6 1.0
C27 D:7HC201 2.7 20.2 1.0
C25 D:7HC201 2.7 18.1 1.0
CD1 D:ILE61 3.7 25.1 1.0
CZ D:PHE86 3.8 21.8 1.0
CE2 D:PHE86 3.8 24.1 1.0
CB D:LEU57 3.9 16.9 1.0
CG2 D:ILE99 3.9 15.5 1.0
C28 D:7HC201 4.0 18.6 1.0
C24 D:7HC201 4.0 20.4 1.0
CD1 D:LEU57 4.0 20.4 1.0
CZ D:PHE91 4.2 24.2 1.0
CE1 D:PHE91 4.4 25.0 1.0
CD1 D:LEU54 4.5 17.2 1.0
CG D:LEU57 4.5 20.7 1.0
C29 D:7HC201 4.5 20.2 1.0
CD1 D:ILE103 4.6 20.1 1.0
CG1 D:ILE61 4.9 24.1 1.0
CD2 D:LEU57 5.0 22.9 1.0
C D:LEU57 5.0 18.8 1.0
CD2 D:LEU82 5.0 31.0 1.0

Chlorine binding site 8 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 8 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:20.2
occ:1.00
CL1 D:7HC201 0.0 20.2 1.0
C20 D:7HC201 1.7 18.8 1.0
C21 D:7HC201 2.7 18.9 1.0
C19 D:7HC201 2.7 18.2 1.0
F D:7HC201 2.9 17.1 1.0
CB D:HIS96 3.5 17.1 1.0
CD1 D:LEU54 3.6 17.2 1.0
CG D:HIS96 3.6 19.0 1.0
CD2 D:TYR100 3.6 13.2 1.0
O D:HIS96 3.6 17.8 1.0
CE2 D:TYR100 3.7 15.1 1.0
CA D:HIS96 3.7 17.1 1.0
CG2 D:ILE99 3.8 15.5 1.0
CD2 D:HIS96 3.8 20.3 1.0
CB D:ILE99 4.0 16.4 1.0
C18 D:7HC201 4.0 19.4 1.0
CG D:LEU54 4.0 18.5 1.0
C16 D:7HC201 4.0 20.4 1.0
C D:HIS96 4.1 19.2 1.0
CD1 D:ILE19 4.3 39.5 1.0
ND1 D:HIS96 4.3 20.3 1.0
CD1 D:ILE99 4.4 14.9 1.0
C17 D:7HC201 4.5 18.3 1.0
NE2 D:HIS96 4.6 20.3 1.0
CG2 D:THR16 4.7 14.6 1.0
CD2 D:LEU54 4.8 18.7 1.0
N D:TYR100 4.8 12.9 1.0
CG1 D:ILE99 4.8 16.8 1.0
CE1 D:HIS96 4.8 20.2 1.0
CG D:TYR100 4.9 12.3 1.0
N D:HIS96 5.0 19.3 1.0

Chlorine binding site 9 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 9 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:24.2
occ:1.00
CL2 E:7HC201 0.0 24.2 1.0
C26 E:7HC201 1.7 24.3 1.0
C25 E:7HC201 2.7 24.3 1.0
C27 E:7HC201 2.7 24.6 1.0
CD1 E:ILE61 3.8 26.9 1.0
CZ E:PHE86 3.8 24.8 1.0
CE2 E:PHE86 3.8 27.2 1.0
CB E:LEU57 3.9 21.3 1.0
CG2 E:ILE99 3.9 19.9 1.0
CD1 E:LEU57 4.0 24.9 1.0
C28 E:7HC201 4.0 25.5 1.0
C24 E:7HC201 4.0 28.1 1.0
CZ E:PHE91 4.2 22.6 1.0
CD1 E:ILE103 4.4 17.7 1.0
CE1 E:PHE91 4.5 23.7 1.0
CG E:LEU57 4.5 25.4 1.0
C29 E:7HC201 4.5 27.5 1.0
CD1 E:LEU54 4.5 19.9 1.0
CG1 E:ILE61 4.9 24.7 1.0
C E:LEU57 5.0 24.6 1.0
CG1 E:ILE103 5.0 17.8 1.0

Chlorine binding site 10 out of 10 in 5trf

Go back to Chlorine Binding Sites List in 5trf
Chlorine binding site 10 out of 10 in the MDM2 in Complex with SAR405838


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of MDM2 in Complex with SAR405838 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:26.9
occ:1.00
CL1 E:7HC201 0.0 26.9 1.0
C20 E:7HC201 1.7 26.9 1.0
C19 E:7HC201 2.7 23.8 1.0
C21 E:7HC201 2.7 25.0 1.0
F E:7HC201 2.9 23.3 1.0
CD1 E:LEU54 3.5 19.9 1.0
CB E:HIS96 3.6 21.9 1.0
CG E:HIS96 3.6 25.9 1.0
CD2 E:TYR100 3.6 22.9 1.0
O E:HIS96 3.7 22.0 1.0
CE2 E:TYR100 3.7 24.3 1.0
CA E:HIS96 3.8 20.4 1.0
CD2 E:HIS96 3.9 28.2 1.0
CG2 E:ILE99 3.9 19.9 1.0
C18 E:7HC201 4.0 25.6 1.0
C16 E:7HC201 4.0 27.1 1.0
CG E:LEU54 4.1 20.9 1.0
CB E:ILE99 4.2 20.3 1.0
ND1 E:HIS96 4.2 28.1 1.0
CD1 E:ILE19 4.2 38.7 1.0
C E:HIS96 4.2 23.5 1.0
CG2 E:THR16 4.5 29.6 1.0
C17 E:7HC201 4.5 26.0 1.0
NE2 E:HIS96 4.5 28.2 1.0
CD1 E:ILE99 4.7 23.3 1.0
CE1 E:HIS96 4.7 28.0 1.0
CD2 E:LEU54 4.8 18.9 1.0
N E:TYR100 4.9 16.3 1.0
CG E:TYR100 4.9 21.9 1.0
O E:HOH308 5.0 21.2 1.0

Reference:

S.Wang, W.Sun, Y.Zhao, D.Mceachern, I.Meaux, C.Barriere, J.A.Stuckey, J.L.Meagher, L.Bai, L.Liu, C.G.Hoffman-Luca, J.Lu, S.Shangary, S.Yu, D.Bernard, A.Aguilar, O.Dos-Santos, L.Besret, S.Guerif, P.Pannier, D.Gorge-Bernat, L.Debussche. SAR405838: An Optimized Inhibitor of MDM2-P53 Interaction That Induces Complete and Durable Tumor Regression. Cancer Res. V. 74 5855 2014.
ISSN: ESSN 1538-7445
PubMed: 25145672
DOI: 10.1158/0008-5472.CAN-14-0799
Page generated: Sat Jul 12 09:04:01 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