Potassium in PDB 4e8w: Crystal Structure of Burkholderia Cenocepacia Hlda in Complex with An Atp-Competitive Inhibitor

The structure of Crystal Structure of Burkholderia Cenocepacia Hlda in Complex with An Atp-Competitive Inhibitor, PDB code: 4e8w was solved by T.-W.Lee, T.B.Verhey, M.S.Junop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.20 / 2.87
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.579, 69.579, 336.445, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 25.8

The binding sites of Potassium atom in the Crystal Structure of Burkholderia Cenocepacia Hlda in Complex with An Atp-Competitive Inhibitor (pdb code 4e8w). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Burkholderia Cenocepacia Hlda in Complex with An Atp-Competitive Inhibitor, PDB code: 4e8w:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of Burkholderia Cenocepacia Hlda in Complex with An Atp-Competitive Inhibitor


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Burkholderia Cenocepacia Hlda in Complex with An Atp-Competitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:K502 b:0.3 occ:1.00 O A:LYS303 2.5 0.4 1.0 O A:VAL300 2.7 97.6 1.0 C A:LYS303 3.7 1.0 1.0 O A:SER266 3.9 0.8 1.0 C A:VAL300 3.9 95.3 1.0 N A:VAL265 4.0 0.0 1.0 OG A:SER266 4.2 0.7 1.0 C A:THR306 4.3 0.7 1.0 CA A:THR306 4.4 0.4 1.0 CB A:ALA307 4.4 0.6 1.0 N A:ALA307 4.5 0.9 1.0 CA A:LYS303 4.5 0.2 1.0 CB A:LYS303 4.5 0.7 1.0 N A:THR306 4.5 0.9 1.0 N A:LYS303 4.5 0.7 1.0 N A:SER266 4.5 0.7 1.0 O A:THR306 4.7 0.6 1.0 CA A:VAL301 4.8 95.5 1.0 CA A:VAL300 4.8 93.8 1.0 N A:VAL301 4.8 94.3 1.0 C A:SER266 4.9 0.1 1.0 CB A:VAL300 4.9 87.7 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of Burkholderia Cenocepacia Hlda in Complex with An Atp-Competitive Inhibitor


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Burkholderia Cenocepacia Hlda in Complex with An Atp-Competitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:K502 b:0.6 occ:1.00 O B:VAL300 2.5 85.7 1.0 O B:LYS303 2.9 0.1 1.0 C B:VAL300 3.8 86.2 1.0 C B:LYS303 3.9 0.7 1.0 O B:GLY305 4.0 0.9 1.0 O B:SER266 4.0 91.1 1.0 N B:LYS303 4.1 0.8 1.0 N B:VAL265 4.2 0.7 1.0 N B:SER266 4.2 98.3 1.0 N B:GLY305 4.2 0.8 1.0 C B:GLY305 4.2 0.2 1.0 CA B:LYS303 4.3 0.3 1.0 CG2 B:VAL300 4.4 90.9 1.0 CB B:LYS303 4.4 1.0 1.0 CA B:VAL301 4.5 0.5 1.0 C B:VAL301 4.6 0.5 1.0 N B:VAL301 4.6 0.8 1.0 N B:ALA307 4.6 0.4 1.0 N B:THR306 4.7 0.0 1.0 CA B:VAL265 4.7 0.2 1.0 CA B:VAL300 4.8 83.6 1.0 N B:GLY302 4.8 0.3 1.0 CA B:THR306 4.8 0.7 1.0 CA B:GLY305 4.8 0.5 1.0 C B:SER266 4.9 91.1 1.0 C B:VAL265 4.9 99.2 1.0 O B:VAL301 5.0 0.7 1.0

T.W.Lee, T.B.Verhey, P.A.Antiperovitch, D.Atamanyuk, N.Desroy, C.Oliveira, A.Denis, V.Gerusz, E.Drocourt, S.A.Loutet, M.A.Hamad, C.Stanetty, S.N.Andres, S.Sugiman-Marangos, P.Kosma, M.A.Valvano, F.Moreau, M.S.Junop. Structural-Functional Studies of Burkholderia Cenocepacia D-Glycero-Beta-D-Manno-Heptose 7-Phosphate Kinase (Hlda) and Characterization of Inhibitors with Antibiotic Adjuvant and Antivirulence Properties. J.Med.Chem. V. 56 1405 2013.
ISSN: ISSN 0022-2623
PubMed: 23256532
DOI: 10.1021/JM301483H