Chlorine in PDB 4ieh: Crystal Structure of Human Bcl-2 in Complex with A Small Molecule Inhibitor Targeting Bcl-2 BH3 Domain Interactions

The structure of Crystal Structure of Human Bcl-2 in Complex with A Small Molecule Inhibitor Targeting Bcl-2 BH3 Domain Interactions, PDB code: 4ieh was solved by X.Xie, R.Kulathila, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.74 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.529, 73.529, 96.205, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of Human Bcl-2 in Complex with A Small Molecule Inhibitor Targeting Bcl-2 BH3 Domain Interactions (pdb code 4ieh). 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 Crystal Structure of Human Bcl-2 in Complex with A Small Molecule Inhibitor Targeting Bcl-2 BH3 Domain Interactions, PDB code: 4ieh:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Bcl-2 in Complex with A Small Molecule Inhibitor Targeting Bcl-2 BH3 Domain Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Bcl-2 in Complex with A Small Molecule Inhibitor Targeting Bcl-2 BH3 Domain Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:25.7 occ:1.00 CL1 A:1E9201 0.0 25.7 1.0 C28 A:1E9201 1.7 21.4 1.0 C27 A:1E9201 2.7 21.6 1.0 C29 A:1E9201 2.7 18.6 1.0 CD1 A:PHE71 3.5 24.4 1.0 CG2 A:VAL115 3.8 18.6 1.0 CE2 A:PHE63 3.9 18.9 1.0 C A:GLU111 4.0 17.1 1.0 C26 A:1E9201 4.0 22.3 1.0 C30 A:1E9201 4.0 20.5 1.0 CB A:GLU111 4.0 17.8 1.0 CE1 A:PHE71 4.1 24.5 1.0 O A:GLU111 4.1 18.7 1.0 N A:PHE112 4.1 17.6 1.0 CA A:PHE112 4.3 19.5 1.0 CA A:PHE71 4.4 23.1 1.0 CG A:MET74 4.4 27.4 1.0 CB A:MET74 4.5 28.6 1.0 CG A:PHE71 4.5 23.1 1.0 C25 A:1E9201 4.6 21.8 1.0 CB A:PHE71 4.7 22.4 1.0 CA A:GLU111 4.7 17.9 1.0 CZ A:PHE63 4.7 19.3 1.0 CB A:VAL115 4.8 17.4 1.0 CD2 A:PHE63 4.8 17.9 1.0 OE2 A:GLU111 4.9 19.0 1.0 O A:ALA108 4.9 16.2 1.0 CB A:PHE112 4.9 18.2 1.0

B.B.Toure, K.Miller-Moslin, N.Yusuff, L.Perez, M.Dore, C.Joud, W.Michael, L.Dipietro, S.Van Der Plas, M.Mcewan, F.Lenoir, M.Hoe, R.Karki, C.Springer, J.Sullivan, K.Levine, C.Fiorilla, X.Xie, R.Kulathila, K.Herlihy, D.Porter, M.Visser. The Role of the Acidity of N-Heteroaryl Sulfonamides As Inhibitors of Bcl-2 Family Protein-Protein Interactions. Acs Med Chem Lett V. 4 186 2013.
ISSN: ISSN 1948-5875
PubMed: 24900652
DOI: 10.1021/ML300321D