Chlorine in PDB 7b8z: Notum-Fragment 277

All present enzymatic activity of Notum-Fragment 277:
3.1.1.98;

The structure of Notum-Fragment 277, PDB code: 7b8z was solved by Y.Zhao, E.Y.Jonees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.77 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.457, 73.598, 78.758, 90, 90, 90
R / Rfree (%)	22.7 / 24.3

The binding sites of Chlorine atom in the Notum-Fragment 277 (pdb code 7b8z). 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 Notum-Fragment 277, PDB code: 7b8z:

Chlorine binding site 1 out of 1 in the Notum-Fragment 277


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Notum-Fragment 277 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:52.0 occ:1.00 CL1 A:A6Z510 0.0 52.0 1.0 C5 A:A6Z510 1.8 35.1 1.0 C4 A:A6Z510 2.8 34.7 1.0 C6 A:A6Z510 2.8 31.7 1.0 O A:PRO286 3.0 56.0 1.0 N A:THR288 3.3 49.1 1.0 C A:PRO286 3.7 52.9 1.0 CZ A:PHE320 3.8 26.1 1.0 CA A:THR288 4.0 41.5 1.0 CG2 A:THR288 4.0 39.7 1.0 C3 A:A6Z510 4.1 33.7 1.0 C1 A:A6Z510 4.1 30.3 1.0 CE2 A:PHE320 4.3 26.8 1.0 C2 A:A6Z510 4.6 31.6 1.0 CB A:THR288 4.6 35.7 1.0 CG1 A:VAL346 4.7 35.0 1.0 CE1 A:PHE320 4.8 27.1 1.0 CA A:PRO286 4.9 57.7 1.0

Y.Zhao, W.Mahy, N.J.Willis, H.L.Woodward, D.Steadman, E.D.Bayle, B.N.Atkinson, J.Sipthorp, L.Vecchia, R.R.Ruza, K.Harlos, F.Jeganathan, S.Constantinou, A.Costa, S.Kjaer, M.Bictash, P.C.Salinas, P.Whiting, J.P.Vincent, P.V.Fish, E.Y.Jones. Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci V. 13 2060 2022.
ISSN: ESSN 1948-7193
PubMed: 35731924
DOI: 10.1021/ACSCHEMNEURO.2C00325