Sodium in PDB 5l3e: LSD1-COREST1 in Complex with Quinazoline-Derivative Reversible Inhibitor

The structure of LSD1-COREST1 in Complex with Quinazoline-Derivative Reversible Inhibitor, PDB code: 5l3e was solved by V.Speranzini, D.Rotili, G.Ciossani, S.Pilotto, M.Forgione, A.Lucidi, F.Forneris, S.Velankar, A.Mai, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	98.57 / 2.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	116.570, 178.400, 233.780, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 22.4

The binding sites of Sodium atom in the LSD1-COREST1 in Complex with Quinazoline-Derivative Reversible Inhibitor (pdb code 5l3e). 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 LSD1-COREST1 in Complex with Quinazoline-Derivative Reversible Inhibitor, PDB code: 5l3e:

Sodium binding site 1 out of 1 in the LSD1-COREST1 in Complex with Quinazoline-Derivative Reversible Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of LSD1-COREST1 in Complex with Quinazoline-Derivative Reversible Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na907 b:55.3 occ:1.00 OG1 A:THR624 2.7 37.0 1.0 O1P A:FAD901 2.9 40.9 1.0 OG A:SER289 3.1 47.3 1.0 N A:GLY290 3.1 40.1 1.0 N A:GLY287 3.2 52.0 1.0 O5B A:FAD901 3.2 46.2 1.0 CA A:GLY287 3.3 54.7 1.0 CB A:THR624 3.4 40.8 1.0 C A:GLY287 3.4 50.8 1.0 O A:GLY287 3.6 51.9 1.0 C5B A:FAD901 3.6 43.4 1.0 O A:GLY285 3.7 38.1 1.0 CA A:GLY290 3.8 43.4 1.0 C A:GLY285 3.8 42.5 1.0 N A:SER289 3.9 42.6 1.0 P A:FAD901 4.0 40.0 1.0 N A:VAL288 4.0 50.9 1.0 CG2 A:THR624 4.1 43.3 1.0 C4B A:FAD901 4.1 40.4 1.0 O A:THR624 4.1 41.1 1.0 O3P A:FAD901 4.1 36.2 1.0 C A:SER289 4.2 42.8 1.0 C A:SER286 4.2 54.0 1.0 N A:SER286 4.2 44.9 1.0 CB A:SER289 4.2 45.1 1.0 CA A:SER289 4.3 44.7 1.0 PA A:FAD901 4.3 40.8 1.0 CA A:GLY285 4.4 41.8 1.0 CA A:SER286 4.5 52.1 1.0 C A:VAL288 4.6 46.0 1.0 CA A:THR624 4.7 40.9 1.0 O2A A:FAD901 4.7 37.5 1.0 C A:THR624 4.8 39.5 1.0 O2P A:FAD901 4.9 35.9 1.0 O A:ILE284 4.9 40.3 1.0 C A:GLY290 4.9 45.7 1.0 O4B A:FAD901 4.9 37.7 1.0 CA A:VAL288 5.0 47.5 1.0 N A:LEU291 5.0 43.2 1.0

V.Speranzini, D.Rotili, G.Ciossani, S.Pilotto, B.Marrocco, M.Forgione, A.Lucidi, F.Forneris, P.Mehdipour, S.Velankar, A.Mai, A.Mattevi. Polymyxins and Quinazolines Are LSD1/KDM1A Inhibitors with Unusual Structural Features. Sci Adv V. 2 01017 2016.
ISSN: ESSN 2375-2548
PubMed: 27626075
DOI: 10.1126/SCIADV.1601017