Chlorine in PDB 8av9: Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with Compound 1

The structure of Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with Compound 1, PDB code: 8av9 was solved by D.Hargreaves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.58 / 1.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	149.284, 41.945, 106.071, 90, 112.72, 90
R / Rfree (%)	22.3 / 27.2

The binding sites of Chlorine atom in the Induced Myeloid Leukemia Cell Differentiation Protein Fabcomplex in Complex with Compound 1 (pdb code 8av9). 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 Compound 1, PDB code: 8av9:

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


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 Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:45.6 occ:1.00 CL A:VF8401 0.0 45.6 1.0 C20 A:VF8401 1.7 44.3 1.0 C19 A:VF8401 2.7 43.6 1.0 C21 A:VF8401 2.7 43.7 1.0 CD1 A:LEU290 3.4 36.5 1.0 CA A:GLY271 3.6 34.6 1.0 C18 A:VF8401 4.0 43.4 1.0 CG2 A:VAL274 4.0 41.7 1.0 C16 A:VF8401 4.0 42.9 1.0 SD A:MET250 4.1 57.2 1.0 N A:GLY271 4.2 34.6 1.0 CB A:VAL274 4.2 41.5 1.0 CD1 A:ILE294 4.2 32.4 1.0 CG A:LEU290 4.3 36.0 1.0 CG1 A:ILE294 4.3 32.1 1.0 C17 A:VF8401 4.5 43.0 1.0 O A:PHE270 4.5 36.3 1.0 CG1 A:VAL274 4.6 42.1 1.0 C A:PHE270 4.6 35.3 1.0 CD2 A:LEU290 4.6 36.7 1.0 CD1 A:LEU246 4.6 78.5 1.0 CD2 A:PHE270 4.7 35.7 1.0 C A:GLY271 4.7 34.9 1.0 O A:GLY271 4.8 35.5 1.0 CG A:MET250 5.0 59.8 1.0

D.Hargreaves, R.J.Carbajo, M.S.Bodnarchuk, K.Embrey, P.B.Rawlins, M.Packer, S.L.Degorce, A.W.Hird, J.W.Johannes, E.Chiarparin, M.Schade. Design of Rigid Protein-Protein Interaction Inhibitors Enables Targeting of Undruggable Mcl-1. Proc.Natl.Acad.Sci.Usa V. 120 67120 2023.
ISSN: ESSN 1091-6490
PubMed: 37186857
DOI: 10.1073/PNAS.2221967120