Chlorine in PDB 8pb8: Psim in Complex with Sah

The structure of Psim in Complex with Sah, PDB code: 8pb8 was solved by S.Werten, J.Hudspeth, B.Rupp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.71 / 2.53
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	62.2, 62.2, 154.83, 90, 90, 90
R / Rfree (%)	19.8 / 25.2

The binding sites of Chlorine atom in the Psim in Complex with Sah (pdb code 8pb8). 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 Psim in Complex with Sah, PDB code: 8pb8:

Chlorine binding site 1 out of 1 in the Psim in Complex with Sah


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Psim in Complex with Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:64.6 occ:1.00 H A:LEU293 2.9 60.7 1.0 HA A:GLN292 3.3 53.9 1.0 OD1 A:ASN268 3.4 44.1 1.0 N A:LEU293 3.6 50.6 1.0 O A:TYR269 3.7 33.6 1.0 HB2 A:LEU293 3.7 59.8 1.0 HB2 A:SER298 4.0 53.4 1.0 H A:TYR269 4.1 51.2 1.0 O A:LEU293 4.1 47.9 1.0 CA A:GLN292 4.1 44.9 1.0 HB2 A:ALA270 4.2 43.9 1.0 HB3 A:GLN292 4.2 59.3 1.0 HB3 A:SER298 4.3 53.4 1.0 OG A:SER298 4.3 43.9 1.0 HG2 A:GLN292 4.3 61.3 1.0 HA A:ASN268 4.3 53.4 1.0 C A:GLN292 4.3 45.5 1.0 NH1 A:ARG299 4.4 49.2 1.0 CB A:SER298 4.4 44.5 1.0 HH12 A:ARG299 4.4 59.1 1.0 HD12 A:LEU293 4.4 49.7 1.0 C A:TYR269 4.4 36.5 1.0 CB A:LEU293 4.5 49.9 1.0 HH11 A:ARG299 4.5 59.1 1.0 CA A:LEU293 4.5 43.7 1.0 HG A:LEU293 4.5 46.9 1.0 CG A:ASN268 4.6 35.0 1.0 N A:TYR269 4.6 42.7 1.0 CB A:GLN292 4.6 49.5 1.0 CZ A:ARG299 4.7 57.0 1.0 C A:LEU293 4.7 49.6 1.0 O A:ILE291 4.8 38.6 1.0 HG A:SER298 4.8 52.6 1.0 HA A:ALA270 4.8 41.1 1.0 CG A:LEU293 4.9 39.1 1.0 HH2 A:TRP243 4.9 45.3 1.0 CG A:GLN292 5.0 51.1 1.0 NH2 A:ARG299 5.0 60.7 1.0

J.Hudspeth, K.Rogge, S.Dorner, M.Mull, D.Hoffmeister, B.Rupp, S.Werten. Methyl Transfer in Psilocybin Biosynthesis Nat Commun V. 15 2709 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-46997-Z