Chlorine in PDB 8bgy: O-Methyltransferase PLU4890 in Complex with Sah and Aq-284A

The structure of O-Methyltransferase PLU4890 in Complex with Sah and Aq-284A, PDB code: 8bgy was solved by E.M.Huber, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.13, 77.26, 166.88, 90, 95.49, 90
R / Rfree (%)	20 / 22.1

The structure of O-Methyltransferase PLU4890 in Complex with Sah and Aq-284A also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the O-Methyltransferase PLU4890 in Complex with Sah and Aq-284A (pdb code 8bgy). 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 O-Methyltransferase PLU4890 in Complex with Sah and Aq-284A, PDB code: 8bgy:

Chlorine binding site 1 out of 1 in the O-Methyltransferase PLU4890 in Complex with Sah and Aq-284A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of O-Methyltransferase PLU4890 in Complex with Sah and Aq-284A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:78.3 occ:1.00 CE1 D:HIS188 3.7 48.6 1.0 CE1 B:HIS188 3.8 43.8 1.0 CB B:ASP205 3.8 45.0 1.0 ND1 D:HIS188 4.0 48.0 1.0 ND1 B:HIS188 4.2 43.7 1.0 CA B:ASP205 4.4 44.0 1.0 N B:ASP205 4.4 45.0 1.0 CG B:ASP205 4.6 45.9 1.0 CB D:ASP205 4.7 39.3 1.0 C B:ILE204 4.8 47.5 1.0 NE2 D:HIS188 4.9 48.7 1.0 OD1 B:ASP205 4.9 47.0 1.0 NE2 B:HIS188 5.0 43.0 1.0

E.M.Huber, L.Kreling, A.K.Heinrich, M.Duennebacke, A.Poethig, H.B.Bode, M.Groll. A Set of Closely Related Methyltransferases For Site-Specific Tailoring of Anthraquinone Pigments Structure 2023.
ISSN: ISSN 0969-2126