Atomistry » Chlorine » PDB 5l7i-5lf1 » 5lay
Atomistry »
  Chlorine »
    PDB 5l7i-5lf1 »
      5lay »

Chlorine in PDB 5lay: Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G

Protein crystallography data

The structure of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G, PDB code: 5lay was solved by D.Kessler, A.Gollner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.45 / 2.71
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 71.450, 71.450, 520.977, 90.00, 90.00, 120.00
R / Rfree (%) 25.1 / 29.2

Other elements in 5lay:

The structure of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G (pdb code 5lay). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G, PDB code: 5lay:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 1 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:8.1
occ:1.00
 CL1 A:6SS205 0.0 8.1 1.0
C2 A:6SS205 1.7 7.7 1.0
C37 A:6SS205 2.7 7.8 1.0
C3 A:6SS205 2.7 7.4 1.0
F38 A:6SS205 2.9 7.8 1.0
CG A:HIS96 3.4 13.2 1.0
CB A:HIS96 3.5 12.9 1.0
CA A:HIS96 3.6 11.9 1.0
CD1 A:LEU54 3.7 6.5 1.0
ND1 A:HIS96 3.7 13.6 1.0
CD2 A:HIS96 3.7 13.2 1.0
CG2 A:ILE99 3.8 6.9 1.0
CE1 A:TYR100 3.9 6.5 1.0
O A:HIS96 3.9 11.2 1.0
CB A:ILE99 3.9 6.9 1.0
CD1 A:TYR100 4.0 6.3 1.0
C4 A:6SS205 4.0 7.6 1.0
C6 A:6SS205 4.0 7.6 1.0
CD1 A:ILE99 4.1 6.9 1.0
CE1 A:HIS96 4.2 13.9 1.0
NE2 A:HIS96 4.2 13.7 1.0
C A:HIS96 4.3 11.2 1.0
CG A:LEU54 4.4 6.7 1.0
C5 A:6SS205 4.5 7.9 1.0
CG1 A:ILE99 4.6 6.9 1.0
N A:HIS96 4.8 12.1 1.0

Chlorine binding site 2 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 2 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:7.3
occ:1.00
 CL2 A:6SS205 0.0 7.3 1.0
C30 A:6SS205 1.7 7.1 1.0
C32 A:6SS205 2.7 7.0 1.0
C29 A:6SS205 2.7 7.1 1.0
CZ A:PHE86 3.6 7.6 1.0
CE2 A:PHE86 3.8 7.7 1.0
CD1 A:ILE61 3.9 3.7 1.0
CG2 A:ILE99 4.0 6.9 1.0
C28 A:6SS205 4.0 7.3 1.0
C33 A:6SS205 4.0 7.1 1.0
CB A:LEU57 4.1 5.6 1.0
CD1 A:LEU57 4.1 5.7 1.0
CZ A:PHE91 4.2 6.7 1.0
CE1 A:PHE91 4.4 6.6 1.0
C27 A:6SS205 4.5 7.2 1.0
CG A:LEU57 4.6 5.8 1.0
CD1 A:LEU82 4.8 5.5 1.0
CD1 A:LEU54 4.8 6.5 1.0
CE1 A:PHE86 4.8 7.8 1.0
CD1 A:ILE103 4.9 6.1 1.0
CD2 A:LEU82 4.9 5.6 1.0
CD1 A:ILE99 5.0 6.9 1.0

Chlorine binding site 3 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 3 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:8.9
occ:1.00
 CL1 B:6SS202 0.0 8.9 1.0
C2 B:6SS202 1.7 7.7 1.0
C37 B:6SS202 2.7 7.5 1.0
C3 B:6SS202 2.7 7.3 1.0
F38 B:6SS202 2.9 7.6 1.0
CD2 B:HIS96 3.5 10.1 1.0
CD1 B:LEU54 3.7 5.5 1.0
CA B:HIS96 3.7 8.1 1.0
CB B:HIS96 3.7 8.8 1.0
O B:HIS96 3.8 8.1 1.0
CG B:HIS96 3.9 9.7 1.0
CE1 B:TYR100 3.9 5.5 1.0
CG2 B:ILE99 4.0 4.3 1.0
CD1 B:TYR100 4.0 5.3 1.0
C6 B:6SS202 4.0 6.9 1.0
C4 B:6SS202 4.0 7.1 1.0
CB B:ILE99 4.0 4.5 1.0
CD1 B:ILE99 4.1 4.4 1.0
C B:HIS96 4.2 8.3 1.0
CG B:LEU54 4.5 5.3 1.0
C5 B:6SS202 4.5 7.0 1.0
NE2 B:HIS96 4.6 10.2 1.0
CG1 B:ILE99 4.7 4.3 1.0
N B:HIS96 4.9 7.5 1.0

Chlorine binding site 4 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 4 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:7.6
occ:1.00
 CL2 B:6SS202 0.0 7.6 1.0
C30 B:6SS202 1.7 7.0 1.0
C32 B:6SS202 2.7 6.9 1.0
C29 B:6SS202 2.7 6.7 1.0
CZ B:PHE86 3.5 8.5 1.0
CE2 B:PHE86 3.5 8.2 1.0
CG2 B:ILE99 3.7 4.3 1.0
CD1 B:ILE61 4.0 5.3 1.0
CD1 B:LEU57 4.0 5.1 1.0
C33 B:6SS202 4.0 6.9 1.0
C28 B:6SS202 4.0 6.7 1.0
CB B:LEU57 4.2 5.8 1.0
CZ B:PHE91 4.2 3.5 1.0
CE2 B:PHE91 4.5 3.4 1.0
C27 B:6SS202 4.5 6.7 1.0
CG B:LEU57 4.6 5.5 1.0
CD1 B:ILE103 4.6 6.0 1.0
CE1 B:PHE86 4.8 8.2 1.0
CG1 B:ILE99 4.8 4.3 1.0
CG1 B:ILE103 4.9 6.6 1.0
CD2 B:PHE86 4.9 8.1 1.0
CD2 B:LEU57 4.9 5.3 1.0
CB B:ILE99 4.9 4.5 1.0

Chlorine binding site 5 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 5 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:8.7
occ:1.00
 CL1 C:6SS202 0.0 8.7 1.0
C2 C:6SS202 1.7 8.2 1.0
C37 C:6SS202 2.7 8.2 1.0
C3 C:6SS202 2.7 8.2 1.0
F38 C:6SS202 2.8 8.0 1.0
ND1 C:HIS96 3.1 9.3 1.0
CD1 C:LEU54 3.7 5.4 1.0
CE1 C:TYR100 3.8 6.7 1.0
O C:HIS96 3.8 6.1 1.0
CG2 C:ILE99 3.8 5.9 1.0
CA C:HIS96 3.9 7.1 1.0
CG C:HIS96 4.0 8.7 1.0
C6 C:6SS202 4.0 7.9 1.0
C4 C:6SS202 4.0 8.1 1.0
CE1 C:HIS96 4.0 9.4 1.0
CD1 C:TYR100 4.0 6.5 1.0
CB C:ILE99 4.0 5.9 1.0
CD1 C:ILE99 4.1 5.9 1.0
CB C:HIS96 4.1 7.8 1.0
C C:HIS96 4.3 6.5 1.0
CG C:LEU54 4.4 5.4 1.0
C5 C:6SS202 4.5 8.1 1.0
CG1 C:ILE99 4.7 5.9 1.0
C3 C:GOL201 4.9 35.0 1.0

Chlorine binding site 6 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 6 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:6.5
occ:1.00
 CL2 C:6SS202 0.0 6.5 1.0
C30 C:6SS202 1.7 6.6 1.0
C29 C:6SS202 2.7 6.6 1.0
C32 C:6SS202 2.7 6.8 1.0
CZ C:PHE86 3.7 13.9 1.0
CE2 C:PHE86 3.8 14.0 1.0
CD1 C:LEU57 3.9 3.0 1.0
C28 C:6SS202 4.0 6.8 1.0
CB C:LEU57 4.0 2.9 1.0
CZ C:PHE91 4.0 6.9 1.0
C33 C:6SS202 4.0 7.0 1.0
CG2 C:ILE99 4.1 5.9 1.0
CD1 C:ILE61 4.3 3.7 1.0
CE2 C:PHE91 4.3 6.8 1.0
CG C:LEU57 4.4 2.9 1.0
C27 C:6SS202 4.5 7.0 1.0
CD1 C:LEU54 4.7 5.4 1.0
CD2 C:LEU57 4.8 2.8 1.0
CD1 C:ILE103 4.8 5.7 1.0
CE1 C:PHE86 4.9 14.2 1.0

Chlorine binding site 7 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 7 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:7.0
occ:1.00
 CL1 D:6SS202 0.0 7.0 1.0
C2 D:6SS202 1.7 6.3 1.0
C3 D:6SS202 2.7 6.2 1.0
C37 D:6SS202 2.7 6.0 1.0
F38 D:6SS202 2.9 6.0 1.0
ND1 D:HIS96 3.4 13.8 1.0
CG D:HIS96 3.5 12.8 1.0
CD2 D:LEU54 3.7 3.7 1.0
CB D:HIS96 3.7 11.8 1.0
CA D:HIS96 3.8 11.1 1.0
CE1 D:TYR100 3.9 6.1 1.0
O D:HIS96 3.9 10.7 1.0
CD1 D:TYR100 3.9 6.1 1.0
C4 D:6SS202 4.0 6.1 1.0
CE1 D:HIS96 4.0 13.4 1.0
C6 D:6SS202 4.0 5.6 1.0
CG2 D:ILE99 4.1 7.6 1.0
CD2 D:HIS96 4.1 13.0 1.0
CB D:ILE99 4.2 7.9 1.0
CD1 D:ILE99 4.2 7.7 1.0
C D:HIS96 4.3 10.4 1.0
NE2 D:HIS96 4.4 13.1 1.0
C5 D:6SS202 4.5 5.9 1.0
CD1 D:LEU54 4.7 4.0 1.0
CG D:LEU54 4.8 3.6 1.0
CG1 D:ILE99 4.8 7.8 1.0

Chlorine binding site 8 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 8 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:7.2
occ:1.00
 CL2 D:6SS202 0.0 7.2 1.0
C30 D:6SS202 1.7 6.1 1.0
C29 D:6SS202 2.7 5.9 1.0
C32 D:6SS202 2.7 5.8 1.0
CE2 D:PHE86 3.6 5.9 1.0
CZ D:PHE86 3.7 5.9 1.0
CG2 D:ILE99 3.7 7.6 1.0
CD1 D:LEU57 3.8 3.3 1.0
C28 D:6SS202 4.0 5.8 1.0
C33 D:6SS202 4.0 5.5 1.0
CD1 D:ILE61 4.0 3.1 1.0
CB D:LEU57 4.1 3.2 1.0
CZ D:PHE91 4.3 5.4 1.0
CG D:LEU57 4.4 3.2 1.0
CE2 D:PHE91 4.5 5.4 1.0
C27 D:6SS202 4.5 5.4 1.0
CD1 D:ILE103 4.7 7.2 1.0
CD2 D:LEU57 4.8 3.0 1.0
CD2 D:PHE86 4.9 6.0 1.0
CB D:ILE99 5.0 7.9 1.0
CG1 D:ILE99 5.0 7.8 1.0
CE1 D:PHE86 5.0 5.8 1.0

Chlorine binding site 9 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 9 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl203

b:5.5
occ:1.00
 CL1 E:6SS203 0.0 5.5 1.0
C2 E:6SS203 1.7 5.2 1.0
C37 E:6SS203 2.7 5.1 1.0
C3 E:6SS203 2.7 5.2 1.0
F38 E:6SS203 2.9 5.0 1.0
ND1 E:HIS96 3.2 9.5 1.0
O E:HIS96 3.7 8.5 1.0
CA E:HIS96 3.8 8.8 1.0
CD1 E:LEU54 3.8 2.0 1.0
CB E:HIS96 3.8 9.2 1.0
CD1 E:TYR100 3.9 7.1 1.0
CG E:HIS96 3.9 9.5 1.0
C4 E:6SS203 4.0 5.0 1.0
C6 E:6SS203 4.0 4.9 1.0
CE1 E:TYR100 4.0 7.2 1.0
CG2 E:ILE99 4.1 6.8 1.0
CB E:ILE99 4.1 6.9 1.0
C E:HIS96 4.2 9.0 1.0
CD1 E:ILE99 4.3 6.6 1.0
CE1 E:HIS96 4.3 9.8 1.0
C5 E:6SS203 4.5 4.9 1.0
CG E:LEU54 4.6 2.0 1.0
CG1 E:ILE19 4.7 14.4 1.0
CG1 E:ILE99 4.8 6.7 1.0
N E:HIS96 5.0 8.1 1.0

Chlorine binding site 10 out of 12 in 5lay

Go back to Chlorine Binding Sites List in 5lay
Chlorine binding site 10 out of 12 in the Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl203

b:3.8
occ:1.00
 CL2 E:6SS203 0.0 3.8 1.0
C30 E:6SS203 1.7 4.0 1.0
C29 E:6SS203 2.7 4.0 1.0
C32 E:6SS203 2.7 4.0 1.0
CZ E:PHE86 3.6 6.1 1.0
CG2 E:ILE99 3.7 6.8 1.0
CE2 E:PHE86 3.8 6.0 1.0
C28 E:6SS203 4.0 4.2 1.0
C33 E:6SS203 4.0 4.2 1.0
CD1 E:ILE61 4.1 4.3 1.0
CB E:LEU57 4.2 2.5 1.0
CD1 E:LEU57 4.3 2.4 1.0
CD1 E:ILE103 4.3 5.7 1.0
CZ E:PHE91 4.3 7.4 1.0
C27 E:6SS203 4.5 4.3 1.0
CE2 E:PHE91 4.6 7.4 1.0
CG1 E:ILE103 4.7 5.9 1.0
CG E:LEU57 4.7 2.4 1.0
CE1 E:PHE86 4.8 6.2 1.0
CD1 E:LEU54 4.9 2.0 1.0
CG1 E:ILE99 4.9 6.7 1.0
CB E:ILE99 4.9 6.9 1.0

Reference:

A.Gollner, D.Rudolph, H.Arnhof, M.Bauer, S.M.Blake, G.Boehmelt, X.L.Cockroft, G.Dahmann, P.Ettmayer, T.Gerstberger, J.Karolyi-Oezguer, D.Kessler, C.Kofink, J.Ramharter, J.Rinnenthal, A.Savchenko, R.Schnitzer, H.Weinstabl, U.Weyer-Czernilofsky, T.Wunberg, D.B.Mcconnell. Discovery of Novel Spiro[3H-Indole-3,2'-Pyrrolidin]-2(1H)-One Compounds As Chemically Stable and Orally Active Inhibitors of the MDM2-P53 Interaction. J. Med. Chem. V. 59 10147 2016.
ISSN: ISSN 1520-4804
PubMed: 27775892
DOI: 10.1021/ACS.JMEDCHEM.6B00900
Page generated: Sat Jul 12 04:30:00 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