Sodium in PDB 8bib: O-Methyltransferase PLU4890 in Complex with Sah and Aq-256

The structure of O-Methyltransferase PLU4890 in Complex with Sah and Aq-256, PDB code: 8bib 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 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.06, 77.05, 167.22, 90, 95.5, 90
R / Rfree (%)	21.4 / 25.2

The structure of O-Methyltransferase PLU4890 in Complex with Sah and Aq-256 also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Sodium atom in the O-Methyltransferase PLU4890 in Complex with Sah and Aq-256 (pdb code 8bib). 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 PLU4890 in Complex with Sah and Aq-256, PDB code: 8bib:

Sodium binding site 1 out of 1 in the O-Methyltransferase PLU4890 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 PLU4890 in Complex with Sah and Aq-256 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:61.6 occ:1.00 NE2 A:HIS26 3.1 53.3 1.0 CD2 A:HIS26 4.0 51.3 1.0 CE1 A:HIS26 4.1 53.4 1.0 O A:GLY22 4.1 42.1 1.0 CB A:SER42 4.1 55.1 1.0 C A:GLY22 4.3 41.8 1.0 O A:THR21 4.4 42.8 1.0 CD2 A:LEU23 4.5 40.0 1.0 N A:LEU23 4.5 41.1 1.0 CZ B:PHE109 4.6 48.0 1.0 CA A:LEU23 4.7 41.6 1.0 CE1 B:PHE109 4.8 48.5 1.0 CA A:GLY22 4.9 41.7 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