Sodium in PDB 8bir: O-Methyltransferase PLU4895 in Complex with Sah and Aq-256

The structure of O-Methyltransferase PLU4895 in Complex with Sah and Aq-256, PDB code: 8bir 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 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.06, 40.13, 119.29, 90, 92.47, 90
R / Rfree (%)	26.5 / 30.1

The structure of O-Methyltransferase PLU4895 in Complex with Sah and Aq-256 also contains other interesting chemical elements:

Chlorine	(Cl)	7 atoms
Iodine	(I)	6 atoms

The binding sites of Sodium atom in the O-Methyltransferase PLU4895 in Complex with Sah and Aq-256 (pdb code 8bir). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the O-Methyltransferase PLU4895 in Complex with Sah and Aq-256, PDB code: 8bir:

Sodium binding site 1 out of 1 in the O-Methyltransferase PLU4895 in Complex with Sah and Aq-256


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of O-Methyltransferase PLU4895 in Complex with Sah and Aq-256 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na406 b:78.7 occ:1.00 NH2 B:ARG194 3.6 70.5 1.0 N B:GLU127 3.7 58.6 1.0 CD B:ARG194 3.9 67.2 1.0 O B:HOH515 3.9 47.2 1.0 C B:PHE126 3.9 56.5 1.0 CZ B:ARG194 3.9 69.9 1.0 NE B:ARG194 4.0 68.2 1.0 CG B:GLU127 4.0 62.9 1.0 CA B:GLU127 4.0 60.7 1.0 O B:PHE126 4.0 57.3 1.0 CB B:PHE126 4.1 53.1 1.0 CL B:CL410 4.5 91.2 1.0 OD2 B:ASP130 4.6 68.2 1.0 CA B:PHE126 4.6 54.4 1.0 CB B:GLU127 4.6 61.8 1.0 NH1 B:ARG194 4.7 70.7 1.0 CG B:ASP130 4.8 67.6 1.0 OG B:SER124 4.9 56.2 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