Chlorine in PDB 6fs0: Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with AZD5991

The structure of Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with AZD5991, PDB code: 6fs0 was solved by D.Hargreaves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.15 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.200, 42.050, 107.290, 90.00, 113.17, 90.00
R / Rfree (%)	19.3 / 23.3

The binding sites of Chlorine atom in the Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with AZD5991 (pdb code 6fs0). 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 Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with AZD5991, PDB code: 6fs0:

Chlorine binding site 1 out of 1 in the Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with AZD5991


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with AZD5991 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:39.3 occ:1.00 CL A:E4W401 0.0 39.3 1.0 C29 A:E4W401 1.7 39.1 1.0 C28 A:E4W401 2.7 38.9 1.0 C30 A:E4W401 2.7 36.9 1.0 C2 A:E4W401 3.0 41.0 1.0 C3 A:E4W401 3.4 44.2 1.0 CB A:MET231 3.5 42.5 1.0 O A:ALA227 3.5 39.4 1.0 C5 A:E4W401 3.6 46.6 1.0 CD1 A:PHE228 3.6 37.2 1.0 C A:ALA227 3.7 39.7 1.0 C1 A:E4W401 3.8 39.8 1.0 CG A:MET231 3.8 45.2 1.0 N A:PHE228 3.9 34.0 1.0 CA A:PHE228 4.0 33.3 1.0 C27 A:E4W401 4.0 37.5 1.0 C31 A:E4W401 4.0 37.2 1.0 CE1 A:PHE228 4.1 37.4 1.0 CB A:ALA227 4.3 39.3 1.0 N A:E4W401 4.3 43.3 1.0 CE1 A:PHE270 4.3 36.0 1.0 CD1 A:PHE270 4.4 35.5 1.0 C26 A:E4W401 4.5 37.5 1.0 N1 A:E4W401 4.5 38.8 1.0 C A:E4W401 4.6 38.5 1.0 CG A:PHE228 4.6 35.2 1.0 CA A:ALA227 4.6 38.5 1.0 C8 A:E4W401 4.7 42.8 1.0 CZ A:PHE270 4.7 35.0 1.0 O A:HOH531 4.8 46.1 1.0 CB A:PHE228 4.8 34.6 1.0 CA A:MET231 4.9 41.2 1.0 CE A:MET231 4.9 44.7 1.0 CG A:PHE270 4.9 33.1 1.0 C A:PHE228 5.0 41.4 1.0 C6 A:E4W401 5.0 44.8 1.0

A.E.Tron, M.A.Belmonte, A.Adam, B.M.Aquila, L.H.Boise, E.Chiarparin, J.Cidado, K.J.Embrey, E.Gangl, F.D.Gibbons, G.P.Gregory, D.Hargreaves, J.A.Hendricks, J.W.Johannes, R.W.Johnstone, S.L.Kazmirski, J.G.Kettle, M.L.Lamb, S.M.Matulis, A.K.Nooka, M.J.Packer, B.Peng, P.B.Rawlins, D.W.Robbins, A.G.Schuller, N.Su, W.Yang, Q.Ye, X.Zheng, J.P.Secrist, E.A.Clark, D.M.Wilson, S.E.Fawell, A.W.Hird. Discovery of Mcl-1-Specific Inhibitor AZD5991 and Preclinical Activity in Multiple Myeloma and Acute Myeloid Leukemia. Nat Commun V. 9 5341 2018.
ISSN: ESSN 2041-1723
PubMed: 30559424
DOI: 10.1038/S41467-018-07551-W