Chlorine in PDB 6obr: PP1 Y134A in Complex with Microcystin Lr

All present enzymatic activity of PP1 Y134A in Complex with Microcystin Lr:
3.1.3.16;

The structure of PP1 Y134A in Complex with Microcystin Lr, PDB code: 6obr was solved by M.S.Choy, T.M.Moon, J.A.Bray, T.L.Archuleta, W.Shi, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.28 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.932, 76.550, 131.213, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21

The structure of PP1 Y134A in Complex with Microcystin Lr also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Chlorine atom in the PP1 Y134A in Complex with Microcystin Lr (pdb code 6obr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the PP1 Y134A in Complex with Microcystin Lr, PDB code: 6obr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the PP1 Y134A in Complex with Microcystin Lr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PP1 Y134A in Complex with Microcystin Lr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:48.2 occ:1.00 N A:GLY215 3.1 35.9 1.0 O A:HOH664 3.1 53.1 1.0 N A:GLU230 3.1 40.9 1.0 CA A:GLY228 3.4 36.0 1.0 C A:GLY228 3.4 39.3 1.0 CB A:GLU230 3.4 48.3 1.0 N A:VAL231 3.6 39.7 1.0 N A:ALA229 3.6 36.9 1.0 CA A:GLU230 3.7 41.4 1.0 O A:GLY228 3.8 37.8 1.0 CA A:GLN214 3.9 42.0 1.0 O A:VAL213 3.9 44.3 1.0 N A:GLY228 3.9 37.8 1.0 CA A:GLY215 4.0 39.3 1.0 C A:GLN214 4.0 47.7 1.0 C A:GLU230 4.1 38.4 1.0 C A:ALA229 4.2 42.6 1.0 CG2 A:VAL231 4.2 39.6 1.0 CG A:GLU230 4.3 51.6 1.0 O A:GLY215 4.4 40.4 1.0 CA A:ALA229 4.5 41.2 1.0 CB A:VAL231 4.7 40.5 1.0 CA A:VAL231 4.7 34.0 1.0 C A:VAL213 4.7 44.1 1.0 C A:GLY215 4.7 38.1 1.0 N A:GLN214 4.8 43.8 1.0 O A:HOH599 4.8 42.2 1.0 CB A:GLN214 4.9 48.2 1.0

Chlorine binding site 2 out of 2 in the PP1 Y134A in Complex with Microcystin Lr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PP1 Y134A in Complex with Microcystin Lr within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:53.4 occ:1.00 O B:HOH632 2.9 50.9 1.0 N B:GLU230 3.0 43.1 1.0 N B:GLY215 3.1 44.2 1.0 C B:GLY228 3.3 36.7 1.0 CA B:GLY228 3.3 46.9 1.0 CB B:GLU230 3.4 56.4 1.0 N B:VAL231 3.5 43.7 1.0 N B:ALA229 3.6 39.5 1.0 CA B:GLU230 3.6 46.0 1.0 O B:GLY228 3.8 37.5 1.0 CA B:GLY215 3.9 45.0 1.0 N B:GLY228 4.0 39.0 1.0 CA B:GLN214 4.0 44.5 1.0 C B:GLU230 4.0 43.1 1.0 C B:GLN214 4.0 49.9 1.0 O B:VAL213 4.1 56.1 1.0 C B:ALA229 4.1 41.7 1.0 CG2 B:VAL231 4.3 39.9 1.0 CA B:ALA229 4.4 46.4 1.0 O B:GLY215 4.5 41.5 1.0 CG B:GLU230 4.7 57.6 1.0 CA B:VAL231 4.7 45.1 1.0 CB B:VAL231 4.7 43.0 1.0 C B:GLY215 4.8 50.2 1.0 C B:VAL213 4.9 55.0 1.0 CB B:GLN214 4.9 53.4 1.0 N B:GLN214 4.9 46.9 1.0

M.S.Choy, T.M.Moon, R.Ravindran, J.A.Bray, L.C.Robinson, T.L.Archuleta, W.Shi, W.Peti, K.Tatchell, R.Page. SDS22 Selectively Recognizes and Traps Metal-Deficient Inactive PP1. Proc.Natl.Acad.Sci.Usa V. 116 20472 2019.
ISSN: ESSN 1091-6490
PubMed: 31548429
DOI: 10.1073/PNAS.1908718116