Chlorine in PDB 8bif: O-Methyltransferase PLU4892 in Complex with Sah

The structure of O-Methyltransferase PLU4892 in Complex with Sah, PDB code: 8bif 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 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.76, 143.53, 74.31, 90, 92.05, 90
R / Rfree (%)	17.4 / 22.7

The structure of O-Methyltransferase PLU4892 in Complex with Sah also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the O-Methyltransferase PLU4892 in Complex with Sah (pdb code 8bif). 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 PLU4892 in Complex with Sah, PDB code: 8bif:

Chlorine binding site 1 out of 1 in the O-Methyltransferase PLU4892 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 O-Methyltransferase PLU4892 in Complex with Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:53.3 occ:1.00 NH1 B:ARG51 2.4 52.4 1.0 O A:GLY280 3.0 33.4 1.0 OD2 A:ASP275 3.2 40.2 1.0 O A:LEU279 3.2 36.0 1.0 C A:LEU279 3.3 35.8 1.0 CA A:LEU279 3.4 35.6 1.0 CZ B:ARG51 3.6 51.1 1.0 CG A:ASP275 3.7 37.0 1.0 CA A:ASP275 3.9 34.5 1.0 CB A:ASP275 4.0 35.0 1.0 N A:GLY280 4.0 36.3 1.0 CB A:LEU279 4.0 37.2 1.0 CG B:ARG48 4.0 35.0 1.0 C A:GLY280 4.0 34.4 1.0 CD2 A:LEU279 4.0 39.4 1.0 NE B:ARG48 4.1 36.6 1.0 CD B:ARG48 4.1 36.5 1.0 NH2 B:ARG51 4.3 51.9 1.0 OD1 A:ASP275 4.5 40.6 1.0 NE B:ARG51 4.6 50.4 1.0 CA A:GLY280 4.6 35.6 1.0 CG A:LEU279 4.7 38.9 1.0 N A:LEU279 4.8 32.8 1.0 N A:ASP275 4.8 33.4 1.0 O A:ASP275 4.8 31.5 1.0 CB A:LYS281 4.8 37.9 1.0 C A:ASP275 4.9 33.5 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