Atomistry » Magnesium » PDB 6vnp-6vz9 » 6vuy
Atomistry »
  Magnesium »
    PDB 6vnp-6vz9 »
      6vuy »

Magnesium in PDB 6vuy: Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT358

Protein crystallography data

The structure of Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT358, PDB code: 6vuy 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) 37.29 / 2.70
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 175.047, 175.047, 123.557, 90.00, 90.00, 120.00
R / Rfree (%) 17.1 / 21.3

Other elements in 6vuy:

The structure of Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT358 also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT358 (pdb code 6vuy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT358, PDB code: 6vuy:

Magnesium binding site 1 out of 1 in 6vuy

Go back to Magnesium Binding Sites List in 6vuy
Magnesium binding site 1 out of 1 in the Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT358


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Eis From Mycobacterium Tuberculosis in Complex with Inhibitor SGT358 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg513

b:36.4
occ:1.00
O A:SER358 2.6 30.2 1.0
O A:ALA134 2.8 24.2 1.0
N A:LEU361 3.1 29.0 1.0
N A:ALA363 3.2 33.6 1.0
N A:GLY362 3.3 31.5 1.0
CB A:ALA363 3.4 35.2 1.0
C A:SER358 3.5 29.5 1.0
CB A:LEU361 3.5 30.0 1.0
CA A:ALA134 3.5 25.7 1.0
CA A:LEU361 3.5 29.3 1.0
C A:ALA134 3.6 25.9 1.0
C A:LEU361 3.6 30.4 1.0
CB A:ALA134 3.8 26.3 1.0
CA A:ALA363 3.8 34.6 1.0
C A:LEU359 3.9 28.3 1.0
N A:TYR360 3.9 27.0 1.0
O A:GLY357 4.0 27.0 1.0
O A:LEU359 4.1 29.8 1.0
C A:GLY362 4.1 32.4 1.0
N A:HIS364 4.2 36.3 1.0
C A:TYR360 4.2 28.1 1.0
CA A:SER358 4.2 28.1 1.0
N A:LEU359 4.3 29.8 1.0
CA A:GLY362 4.3 31.5 1.0
CG A:LEU361 4.3 29.4 1.0
CA A:LEU359 4.4 29.5 1.0
O A:LEU361 4.4 32.4 1.0
C A:ALA363 4.5 35.8 1.0
CA A:TYR360 4.6 27.5 1.0
CD2 A:HIS364 4.7 33.7 1.0
N A:THR135 4.9 25.5 1.0
N A:ALA134 4.9 25.5 1.0
C A:GLY357 4.9 27.2 1.0

Reference:

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
Page generated: Tue Oct 1 22:15:07 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy