Sodium in PDB 5o1s: Dimethyl Fumarate Is An Allosteric Covalent Inhibitor of the P90 Ribosomal S6 Kinases

All present enzymatic activity of Dimethyl Fumarate Is An Allosteric Covalent Inhibitor of the P90 Ribosomal S6 Kinases:
2.7.11.1;

The structure of Dimethyl Fumarate Is An Allosteric Covalent Inhibitor of the P90 Ribosomal S6 Kinases, PDB code: 5o1s was solved by J.L.Andersen, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.36 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	46.951, 46.951, 291.865, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.1

The binding sites of Sodium atom in the Dimethyl Fumarate Is An Allosteric Covalent Inhibitor of the P90 Ribosomal S6 Kinases (pdb code 5o1s). 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 Dimethyl Fumarate Is An Allosteric Covalent Inhibitor of the P90 Ribosomal S6 Kinases, PDB code: 5o1s:

Sodium binding site 1 out of 1 in the Dimethyl Fumarate Is An Allosteric Covalent Inhibitor of the P90 Ribosomal S6 Kinases


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Dimethyl Fumarate Is An Allosteric Covalent Inhibitor of the P90 Ribosomal S6 Kinases within 5.0Å range: probe atom residue distance (Å) B Occ A:Na801 b:39.1 occ:1.00 O A:GLY471 2.3 44.7 1.0 O A:HIS473 2.3 38.5 1.0 O A:HOH956 2.4 42.8 1.0 O A:ILE476 2.4 40.2 1.0 OG1 A:THR478 2.4 46.9 1.0 O A:HOH988 2.6 62.3 1.0 C A:GLY471 3.4 46.1 1.0 C A:HIS473 3.4 40.8 1.0 CB A:THR478 3.5 43.1 1.0 C A:ILE476 3.5 43.2 1.0 CA A:THR478 3.8 42.8 1.0 C A:GLN472 3.9 46.1 1.0 N A:THR478 3.9 40.8 1.0 N A:HIS473 4.0 40.8 1.0 N A:ILE476 4.0 40.9 1.0 CG2 A:THR478 4.0 45.7 1.0 C A:ILE477 4.1 38.8 1.0 CA A:GLN472 4.1 50.5 1.0 C A:PRO474 4.2 41.5 1.0 O A:GLN472 4.2 45.4 1.0 CA A:PRO474 4.2 45.4 1.0 N A:GLN472 4.2 44.6 1.0 N A:PRO474 4.2 44.7 1.0 CA A:ILE476 4.3 40.8 1.0 OE2 A:GLU494 4.3 43.6 1.0 O A:PRO474 4.3 38.7 1.0 CA A:HIS473 4.3 41.1 1.0 CA A:GLY471 4.4 45.8 1.0 O A:ILE477 4.4 40.0 1.0 N A:ILE477 4.6 40.4 1.0 CB A:ILE476 4.6 38.3 1.0 N A:ASN475 4.7 39.9 1.0 CA A:ILE477 4.7 41.2 1.0 NE A:ARG558 4.8 43.1 1.0 CD A:ARG558 4.9 39.2 1.0

J.L.Andersen, B.Gesser, E.D.Funder, C.J.F.Nielsen, H.Gotfred-Rasmussen, M.K.Rasmussen, R.Toth, K.V.Gothelf, J.S.C.Arthur, L.Iversen, P.Nissen. Dimethyl Fumarate Is An Allosteric Covalent Inhibitor of the P90 Ribosomal S6 Kinases. Nat Commun V. 9 4344 2018.
ISSN: ESSN 2041-1723
PubMed: 30341347
DOI: 10.1038/S41467-018-06787-W