Sodium in PDB 6vux: Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT388

The structure of Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT388, PDB code: 6vux was solved by A.Punetha, C.Hou, H.X.Ngo, S.Garneau-Tsodikova, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.97
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	174.946, 174.946, 124.497, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 18.8

The binding sites of Sodium atom in the Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT388 (pdb code 6vux). 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 Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT388, PDB code: 6vux:

Sodium binding site 1 out of 1 in the Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT388


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT388 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na509 b:47.1 occ:1.00 OE2 A:GLU74 2.4 44.8 1.0 O A:HOH947 2.8 52.7 1.0 O A:GLN185 2.8 32.0 1.0 CD A:GLU74 3.3 41.4 1.0 CG A:GLU74 3.4 36.4 1.0 CG2 A:VAL394 3.6 39.8 1.0 C A:GLN185 3.7 31.3 1.0 CA A:GLN185 3.8 30.7 1.0 CB A:GLN185 4.0 35.4 1.0 CG A:GLN185 4.4 40.1 1.0 OE1 A:GLU74 4.5 45.9 1.0 CB A:VAL394 4.5 36.3 1.0 CG1 A:VAL394 4.7 35.1 1.0 O A:HOH911 4.7 50.7 1.0 O A:HOH926 4.9 65.9 1.0 CB A:GLU74 4.9 32.8 1.0 N A:VAL186 5.0 28.7 1.0

A.Punetha, H.X.Ngo, S.Y.L.Holbrook, K.D.Green, M.J.Willby, S.A.Bonnett, K.Krieger, E.K.Dennis, J.E.Posey, T.Parish, O.V.Tsodikov, S.Garneau-Tsodikova. Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis Frommycobacterium Tuberculosis. Acs Chem.Biol. 2020.
ISSN: ESSN 1554-8937
PubMed: 32421305
DOI: 10.1021/ACSCHEMBIO.0C00184