Chlorine in PDB 8bij: O-Methyltransferase PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in Complex with Sah

The structure of O-Methyltransferase PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in Complex with Sah, PDB code: 8bij 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 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.31, 76.46, 113.43, 90, 90, 90
R / Rfree (%)	18.9 / 21.9

The structure of O-Methyltransferase PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in Complex with Sah also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the O-Methyltransferase PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in Complex with Sah (pdb code 8bij). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the O-Methyltransferase PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in Complex with Sah, PDB code: 8bij:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the O-Methyltransferase PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) 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 PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in Complex with Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:55.1 occ:1.00 N A:GLY250 2.6 37.2 1.0 O A:HOH555 2.8 29.6 1.0 CA A:ASN249 3.4 40.2 1.0 C A:ASN249 3.4 38.7 1.0 CA A:GLY250 3.5 36.2 1.0 O A:HOH589 3.8 39.9 1.0 CD1 A:ILE316 4.0 35.9 1.0 CB A:ASN249 4.1 43.0 1.0 CB A:ILE316 4.2 33.8 1.0 C A:GLY250 4.3 32.1 1.0 N A:SER251 4.4 29.1 1.0 O A:ASP248 4.4 37.3 1.0 CG1 A:ILE316 4.5 34.0 1.0 CG A:ASN249 4.6 45.9 1.0 N A:ASN249 4.6 38.0 1.0 OD1 A:ASN249 4.6 48.0 1.0 O A:SER251 4.6 25.6 1.0 O A:ASN249 4.7 44.8 1.0 N A:ILE316 4.8 28.0 1.0 C A:ASP248 5.0 34.0 1.0

Chlorine binding site 2 out of 2 in the O-Methyltransferase PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in Complex with Sah


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of O-Methyltransferase PLU4894 (Mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in Complex with Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:46.4 occ:1.00 NH2 B:ARG40 2.5 34.7 1.0 OD2 B:ASP36 2.6 40.3 1.0 OD1 B:ASP36 3.3 34.3 1.0 CG B:ASP36 3.3 32.7 1.0 CZ B:ARG40 3.6 33.9 1.0 NE B:ARG40 3.9 33.6 1.0 NH1 B:ARG40 4.7 32.0 1.0 CB B:ASP36 4.8 28.5 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