Chlorine in PDB 7na3: HDM2 in Complex with Compound 62

All present enzymatic activity of HDM2 in Complex with Compound 62:
2.3.2.27;

The structure of HDM2 in Complex with Compound 62, PDB code: 7na3 was solved by G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.00 / 2.21
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.467, 56.467, 105.166, 90, 90, 120
R / Rfree (%)	19.6 / 21.9

The binding sites of Chlorine atom in the HDM2 in Complex with Compound 62 (pdb code 7na3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the HDM2 in Complex with Compound 62, PDB code: 7na3:

Chlorine binding site 1 out of 1 in the HDM2 in Complex with Compound 62


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HDM2 in Complex with Compound 62 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:50.4 occ:1.00 CL29 A:1I3201 0.0 50.4 1.0 C28 A:1I3201 1.7 45.7 1.0 C30 A:1I3201 2.7 44.1 1.0 C27 A:1I3201 2.7 42.9 1.0 CG2 A:ILE99 3.7 35.6 1.0 CE2 A:TYR100 3.7 57.9 1.0 O A:HIS96 3.8 46.7 1.0 CB A:ILE99 3.9 47.3 1.0 CA A:HIS96 3.9 50.8 1.0 N26 A:1I3201 3.9 49.2 1.0 CG A:HIS96 3.9 65.3 1.0 C24 A:1I3201 3.9 48.2 1.0 CD2 A:TYR100 4.0 52.8 1.0 CB A:HIS96 4.0 56.2 1.0 CD1 A:ILE99 4.0 51.6 1.0 CD2 A:HIS96 4.1 68.5 1.0 CZ A:TYR100 4.2 48.0 1.0 C A:HIS96 4.3 51.7 1.0 ND1 A:HIS96 4.3 70.4 1.0 C25 A:1I3201 4.4 51.2 1.0 CG1 A:ILE99 4.6 50.3 1.0 OH A:TYR100 4.6 55.8 1.0 NE2 A:HIS96 4.6 70.9 1.0 CD2 A:LEU54 4.7 38.3 1.0 CG A:TYR100 4.8 45.7 1.0 CE1 A:HIS96 4.8 74.3 1.0 N A:TYR100 4.9 39.8 1.0 O A:HOH309 4.9 67.2 1.0 CE1 A:TYR100 4.9 50.3 1.0

M.H.Reutershan, M.R.Machacek, M.D.Altman, S.Bogen, M.Cai, C.Cammarano, D.Chen, M.Christopher, J.Cryan, P.Daublain, X.Fradera, P.Geda, P.Goldenblatt, A.D.Hill, R.A.Kemper, V.Kutilek, C.Li, M.Martinez, M.Mccoy, L.Nair, W.Pan, C.F.Thompson, G.Scapin, M.Shizuka, M.L.Spatz, D.Steinhuebel, B.Sun, M.E.Voss, X.Wang, L.Yang, T.C.Yeh, I.Dussault, C.G.Marshall, B.W.Trotter. Discovery of Mk-4688 : An Efficient Inhibitor of the HDM2-P53 Protein-Protein Interaction. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34714078
DOI: 10.1021/ACS.JMEDCHEM.1C01524