Chlorine in PDB 7zkr: Human Gabarap in Complex with Stapled Peptide PEN3-Ortho

The structure of Human Gabarap in Complex with Stapled Peptide PEN3-Ortho, PDB code: 7zkr was solved by A.Ueffing, H.Brown, D.Willbold, J.A.Kritzer, O.H.Weiergraeber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.51 / 1.10
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	99.03, 99.03, 99.03, 90, 90, 90
R / Rfree (%)	14 / 16.7

The binding sites of Chlorine atom in the Human Gabarap in Complex with Stapled Peptide PEN3-Ortho (pdb code 7zkr). 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 Human Gabarap in Complex with Stapled Peptide PEN3-Ortho, PDB code: 7zkr:

Chlorine binding site 1 out of 1 in the Human Gabarap in Complex with Stapled Peptide PEN3-Ortho


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Gabarap in Complex with Stapled Peptide PEN3-Ortho within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:10.9 occ:0.33 OG1 B:THR5 3.1 10.2 1.0 CB B:THR5 3.7 10.1 1.0 CB B:GLU7 3.8 10.2 1.0 O B:HOH212 3.8 10.7 1.0 CG2 B:THR5 3.9 11.1 1.0 CG B:GLU7 4.2 11.9 1.0 N B:GLU7 4.7 9.3 1.0 CA B:GLU7 4.7 9.1 1.0 N B:CYS8 5.0 9.4 1.0

H.Brown, M.Chung, A.Uffing, N.Batistatou, T.Tsang, S.Doskocil, W.Mao, D.Willbold, R.C.Bast Jr., Z.Lu, O.H.Weiergraber, J.A.Kritzer. Structure-Based Design of Stapled Peptides That Bind Gabarap and Inhibit Autophagy. J.Am.Chem.Soc. V. 144 14687 2022.
ISSN: ESSN 1520-5126
PubMed: 35917476
DOI: 10.1021/JACS.2C04699