Chlorine in PDB 4dum: Co-Crystal Structure of EIF4E with Inhibitor

The structure of Co-Crystal Structure of EIF4E with Inhibitor, PDB code: 4dum was solved by X.Min, S.Johnstone, N.Walker, Z.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.24 / 2.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.225, 58.766, 125.442, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 27.1

The binding sites of Chlorine atom in the Co-Crystal Structure of EIF4E with Inhibitor (pdb code 4dum). 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 Co-Crystal Structure of EIF4E with Inhibitor, PDB code: 4dum:

Chlorine binding site 1 out of 1 in the Co-Crystal Structure of EIF4E with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crystal Structure of EIF4E with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:41.8 occ:1.00 CL1 A:HLI1001 0.0 41.8 1.0 C18 A:HLI1001 1.7 41.8 1.0 C17 A:HLI1001 2.7 41.2 1.0 C19 A:HLI1001 2.7 41.2 1.0 OG A:SER92 3.3 25.1 1.0 CD1 A:LEU60 3.7 42.1 1.0 CB A:ASP90 3.7 31.6 1.0 CB A:PHE48 3.7 40.2 1.0 CB A:SER92 3.9 24.3 1.0 C A:TYR91 4.0 27.0 1.0 C16 A:HLI1001 4.0 40.7 1.0 N A:PHE48 4.0 36.7 1.0 C20 A:HLI1001 4.0 41.2 1.0 O A:TYR91 4.1 27.5 1.0 N A:SER92 4.1 25.6 1.0 O A:ASP90 4.1 30.0 1.0 C A:ASP90 4.2 30.0 1.0 O A:TRP46 4.3 28.5 1.0 C A:PHE47 4.4 33.5 1.0 CA A:PHE48 4.5 40.3 1.0 C15 A:HLI1001 4.6 41.2 1.0 CA A:TYR91 4.6 27.4 1.0 N A:TYR91 4.6 28.5 1.0 CA A:SER92 4.6 24.4 1.0 OD2 A:ASP90 4.6 36.1 1.0 CA A:ASP90 4.6 31.3 1.0 C A:TRP46 4.6 28.1 1.0 CG A:ASP90 4.7 34.0 1.0 CB A:TRP46 4.7 27.2 1.0 CA A:PHE47 4.8 31.1 1.0 CG A:PHE48 4.9 41.8 1.0 N A:PHE47 4.9 29.4 1.0 O A:PHE47 4.9 33.5 1.0 CG1 A:VAL153 5.0 21.7 1.0

X.Chen, D.J.Kopecky, J.Mihalic, S.Jeffries, X.Min, J.Heath, J.Deignan, S.Lai, Z.Fu, C.Guimaraes, S.Shen, S.Li, S.Johnstone, S.Thibault, H.Xu, M.Cardozo, W.Shen, N.Walker, F.Kayser, Z.Wang. Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the EIF4E Mrna-Cap Interaction. J.Med.Chem. V. 55 3837 2012.
ISSN: ISSN 0022-2623
PubMed: 22458568
DOI: 10.1021/JM300037X