Potassium in PDB 4c71: Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM18

All present enzymatic activity of Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM18:
2.3.1.41;

The structure of Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM18, PDB code: 4c71 was solved by J.Schiebel, K.Kapilashrami, A.Fekete, G.R.Bommineni, C.M.Schaefer, M.J.Mueller, P.J.Tonge, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.15 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.320, 88.870, 184.290, 90.00, 90.00, 90.00
R / Rfree (%)	13.926 / 16.796

The binding sites of Potassium atom in the Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM18 (pdb code 4c71). 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 M. Tuberculosis C171Q Kasa in Complex with TLM18, PDB code: 4c71:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM18


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 M. Tuberculosis C171Q Kasa in Complex with TLM18 within 5.0Å range: probe atom residue distance (Å) B Occ A:K1421 b:18.5 occ:1.00 OE1 A:GLU354 2.6 16.3 1.0 OD1 A:ASN399 2.6 18.5 1.0 OD1 A:ASN309 2.6 18.4 1.0 O A:ASN400 2.7 14.3 1.0 O A:ASN309 2.8 15.4 1.0 O A:ALA310 2.9 15.9 1.0 C A:ALA310 3.2 17.1 1.0 C A:ASN309 3.4 15.8 1.0 CD A:GLU354 3.5 18.7 1.0 CB A:GLU354 3.6 16.9 1.0 N A:HIS311 3.6 14.3 1.0 CG A:ASN309 3.6 18.1 1.0 CG A:ASN399 3.7 22.7 1.0 CA A:HIS311 3.8 16.4 1.0 C A:ASN400 3.8 14.8 1.0 N A:ASN400 3.8 15.4 1.0 N A:ALA310 3.9 15.9 1.0 O A:HOH2368 4.0 12.0 1.0 CA A:ALA310 4.0 17.8 1.0 CG A:GLU354 4.1 16.5 1.0 CB A:ASN309 4.1 15.5 1.0 ND2 A:ASN399 4.3 27.3 1.0 CA A:ASN400 4.4 16.1 1.0 CA A:ASN309 4.4 15.2 1.0 OE2 A:GLU354 4.5 17.6 1.0 C A:ASN399 4.6 16.6 1.0 CA A:ASN399 4.7 15.9 1.0 ND2 A:ASN309 4.7 15.8 1.0 CB A:HIS311 4.8 15.6 1.0 CB A:ASN399 4.8 16.6 1.0 CB A:ASN400 4.8 14.4 1.0 OG A:SER401 4.8 10.4 0.5 C A:HIS311 4.9 18.6 1.0 N A:SER401 4.9 16.2 1.0 CA A:GLU354 5.0 15.0 1.0 CG A:PRO339 5.0 19.3 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM18


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 M. Tuberculosis C171Q Kasa in Complex with TLM18 within 5.0Å range: probe atom residue distance (Å) B Occ B:K1418 b:21.0 occ:1.00 OE1 B:GLU354 2.6 20.1 1.0 OD1 B:ASN399 2.6 20.1 1.0 O B:ASN400 2.7 17.6 1.0 OD1 B:ASN309 2.7 18.5 1.0 O B:ASN309 2.8 17.7 1.0 O B:ALA310 3.0 18.6 1.0 C B:ALA310 3.2 17.8 1.0 C B:ASN309 3.4 19.1 1.0 CD B:GLU354 3.5 21.7 1.0 N B:HIS311 3.5 16.2 1.0 CB B:GLU354 3.7 19.9 1.0 CG B:ASN399 3.7 20.0 1.0 CG B:ASN309 3.7 18.9 1.0 C B:ASN400 3.8 17.5 1.0 N B:ASN400 3.8 18.3 1.0 CA B:HIS311 3.8 17.3 1.0 N B:ALA310 3.9 18.8 1.0 O B:HOH2298 4.0 11.5 1.0 CA B:ALA310 4.0 17.3 1.0 CB B:ASN309 4.1 19.2 1.0 CG B:GLU354 4.1 16.8 1.0 CA B:ASN400 4.3 17.4 1.0 CA B:ASN309 4.3 19.6 1.0 ND2 B:ASN399 4.3 22.2 1.0 OE2 B:GLU354 4.5 19.4 1.0 C B:ASN399 4.6 19.9 1.0 CA B:ASN399 4.7 17.7 1.0 CB B:ASN400 4.7 17.1 1.0 CB B:HIS311 4.8 16.4 1.0 CB B:ASN399 4.8 18.1 1.0 OG B:SER401 4.8 13.2 0.5 ND2 B:ASN309 4.8 18.6 1.0 C B:HIS311 4.9 18.9 1.0 N B:SER401 4.9 17.4 1.0

J.Schiebel, K.Kapilashrami, A.Fekete, G.R.Bommineni, C.M.Schaefer, M.J.Mueller, P.J.Tonge, C.Kisker. Structural Basis For the Recognition of Mycolic Acid Precursors By Kasa, A Condensing Enzyme and Drug Target From Mycobacterium Tuberculosis J.Biol.Chem. V. 288 34190 2013.
ISSN: ISSN 0021-9258
PubMed: 24108128
DOI: 10.1074/JBC.M113.511436