Chlorine in PDB 8aeu: Structure of HMDM2 in Complex with Nutlin-3A-Aa

All present enzymatic activity of Structure of HMDM2 in Complex with Nutlin-3A-Aa:
2.3.2.27;

The structure of Structure of HMDM2 in Complex with Nutlin-3A-Aa, PDB code: 8aeu was solved by B.Labuzek, P.Golik, K.Magiera-Mularz, T.Berg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.07 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.233, 56.233, 75.376, 90, 90, 90
R / Rfree (%)	19.7 / 24

The binding sites of Chlorine atom in the Structure of HMDM2 in Complex with Nutlin-3A-Aa (pdb code 8aeu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of HMDM2 in Complex with Nutlin-3A-Aa, PDB code: 8aeu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of HMDM2 in Complex with Nutlin-3A-Aa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of HMDM2 in Complex with Nutlin-3A-Aa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:53.0 occ:1.00 CL A:M0L302 0.0 53.0 1.0 C9 A:M0L302 1.7 48.2 1.0 C8 A:M0L302 2.7 51.5 1.0 C10 A:M0L302 2.7 48.5 1.0 C11 A:M0L302 4.0 48.7 1.0 C7 A:M0L302 4.0 51.3 1.0 CD2 A:LEU38 4.5 46.5 1.0 C61 A:M0L302 4.5 49.8 1.0

Chlorine binding site 2 out of 2 in the Structure of HMDM2 in Complex with Nutlin-3A-Aa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of HMDM2 in Complex with Nutlin-3A-Aa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:49.9 occ:1.00 CL6 A:M0L302 0.0 49.9 1.0 C1 A:M0L302 1.7 47.0 1.0 C2 A:M0L302 2.7 46.5 1.0 C6 A:M0L302 2.7 48.2 1.0 CD1 A:ILE45 3.8 44.9 1.0 C3 A:M0L302 4.0 47.6 1.0 C5 A:M0L302 4.0 49.1 1.0 CB A:LEU41 4.1 46.8 1.0 CD1 A:LEU41 4.4 47.2 1.0 C4 A:M0L302 4.5 48.1 1.0 CG A:LEU41 4.7 46.9 1.0 CD2 A:LEU41 5.0 47.6 1.0

F.Nietzold, S.Rubner, B.Labuzek, P.Golik, E.Surmiak, X.Del Corte, R.Kitel, C.Protzel, R.Reppich-Sacher, J.Stichel, K.Magiera-Mularz, T.A.Holak, T.Berg. Nutlin-3A-Aa: Improving the Bioactivity of A P53/MDM2 Interaction Inhibitor By Introducing A Solvent-Exposed Methylene Group. Chembiochem 2023.
ISSN: ESSN 1439-7633
PubMed: 36602436
DOI: 10.1002/CBIC.202300006