Chlorine in PDB 6eqm: Crystal Structure of Human Bace-1 in Complex with CNP520

All present enzymatic activity of Crystal Structure of Human Bace-1 in Complex with CNP520:
3.4.23.46;

The structure of Crystal Structure of Human Bace-1 in Complex with CNP520, PDB code: 6eqm was solved by J.-M.Rondeau, E.Wirth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.660, 76.650, 104.540, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 20

The structure of Crystal Structure of Human Bace-1 in Complex with CNP520 also contains other interesting chemical elements:

Fluorine

(F)

7 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Bace-1 in Complex with CNP520 (pdb code 6eqm). 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 Bace-1 in Complex with CNP520, PDB code: 6eqm:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Bace-1 in Complex with CNP520


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 Bace-1 in Complex with CNP520 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:28.2 occ:1.00 CL A:BUH401 0.0 28.2 1.0 C20 A:BUH401 1.8 18.6 1.0 C19 A:BUH401 2.7 20.5 1.0 C21 A:BUH401 2.8 18.3 1.0 O25 A:BUH401 3.0 23.0 1.0 C23 A:BUH401 3.2 18.7 1.0 O A:GLY11 3.2 29.4 1.0 CD1 A:ILE110 3.8 47.5 1.0 O A:HOH784 3.9 45.1 1.0 C18 A:BUH401 4.0 17.7 1.0 N22 A:BUH401 4.0 16.4 1.0 CA A:GLN12 4.1 24.0 1.0 O A:GLN12 4.1 26.0 1.0 O A:HOH684 4.1 24.5 1.0 C A:GLN12 4.1 23.9 1.0 C A:GLY11 4.2 29.9 1.0 O A:HOH526 4.3 46.6 1.0 N24 A:BUH401 4.3 16.3 1.0 O A:HOH674 4.3 29.2 1.0 OG1 A:THR232 4.3 20.2 1.0 C17 A:BUH401 4.5 16.9 1.0 N A:GLN12 4.5 25.9 1.0 N A:GLY13 4.8 19.2 1.0

U.Neumann, M.Ufer, L.H.Jacobson, M.L.Rouzade-Dominguez, G.Huledal, C.Kolly, R.M.Luond, R.Machauer, S.J.Veenstra, K.Hurth, H.Rueeger, M.Tintelnot-Blomley, M.Staufenbiel, D.R.Shimshek, L.Perrot, W.Frieauff, V.Dubost, H.Schiller, B.Vogg, K.Beltz, A.Avrameas, S.Kretz, N.Pezous, J.M.Rondeau, N.Beckmann, A.Hartmann, S.Vormfelde, O.J.David, B.Galli, R.Ramos, A.Graf, C.Lopez Lopez. The Bace-1 Inhibitor CNP520 For Prevention Trials in Alzheimer'S Disease. Embo Mol Med V. 10 2018.
ISSN: ESSN 1757-4684
PubMed: 30224383
DOI: 10.15252/EMMM.201809316