Chlorine in PDB 7bd9: Notum Fragment 886

All present enzymatic activity of Notum Fragment 886:
3.1.1.98;

The structure of Notum Fragment 886, PDB code: 7bd9 was solved by Y.Zhao, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.79 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.13, 73.54, 78.74, 90, 90, 90
R / Rfree (%)	19.6 / 21.4

The binding sites of Chlorine atom in the Notum Fragment 886 (pdb code 7bd9). 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 886, PDB code: 7bd9:

Chlorine binding site 1 out of 1 in the Notum Fragment 886


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Notum Fragment 886 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:64.6 occ:1.00 CL1 A:GW1506 0.0 64.6 1.0 C3 A:GW1506 1.8 44.3 1.0 C2 A:GW1506 2.8 45.5 1.0 C4 A:GW1506 2.9 39.2 1.0 O1 A:GW1506 3.1 36.9 1.0 C5 A:GW1506 3.2 47.7 1.0 CE2 A:PHE268 3.6 21.4 1.0 CB A:ALA342 3.7 23.1 1.0 CZ A:PHE268 3.7 21.4 1.0 O A:ALA342 3.8 23.9 1.0 CH2 A:TRP128 3.8 35.7 1.0 CD2 A:PHE268 3.9 20.5 1.0 CZ3 A:TRP128 3.9 33.4 1.0 C A:ALA342 3.9 20.6 1.0 N1 A:GW1506 3.9 41.6 1.0 N2 A:GW1506 3.9 42.1 1.0 CG1 A:VAL346 4.0 25.5 1.0 CE1 A:PHE268 4.0 25.0 1.0 CG A:PHE268 4.2 15.6 1.0 N A:GLN343 4.3 17.1 1.0 CD1 A:PHE268 4.3 20.5 1.0 CA A:ALA342 4.4 26.3 1.0 N3 A:GW1506 4.4 43.5 1.0 CG2 A:VAL346 4.5 36.4 1.0 CA A:GLN343 4.7 18.2 1.0 CZ2 A:TRP128 4.9 37.2 1.0 CB A:VAL346 4.9 22.7 1.0 CE3 A:TRP128 5.0 30.1 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