Potassium in PDB 4c72: Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM5

All present enzymatic activity of Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM5:
2.3.1.41;

The structure of Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM5, PDB code: 4c72 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)	91.80 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.310, 89.100, 183.610, 90.00, 90.00, 90.00
R / Rfree (%)	13.634 / 15.59

The binding sites of Potassium atom in the Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM5 (pdb code 4c72). 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 TLM5, PDB code: 4c72:
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 TLM5


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 TLM5 within 5.0Å range: probe atom residue distance (Å) B Occ A:K1418 b:16.1 occ:1.00 OE1 A:GLU354 2.6 17.3 1.0 OD1 A:ASN399 2.6 17.8 1.0 OD1 A:ASN309 2.7 16.6 1.0 O A:ASN400 2.7 14.4 1.0 O A:ASN309 2.8 14.8 1.0 O A:ALA310 3.0 16.1 1.0 C A:ALA310 3.2 15.3 1.0 C A:ASN309 3.3 15.0 1.0 N A:HIS311 3.5 14.2 1.0 CD A:GLU354 3.6 16.2 1.0 CB A:GLU354 3.6 14.5 1.0 CG A:ASN399 3.7 18.1 1.0 CG A:ASN309 3.7 14.7 1.0 CA A:HIS311 3.8 13.8 1.0 C A:ASN400 3.8 13.8 1.0 N A:ASN400 3.9 14.2 1.0 N A:ALA310 3.9 14.2 1.0 O A:HOH2403 3.9 12.4 1.0 CA A:ALA310 4.0 15.1 1.0 CB A:ASN309 4.1 15.5 1.0 CG A:GLU354 4.1 16.1 1.0 ND2 A:ASN399 4.3 22.1 1.0 CA A:ASN309 4.3 15.0 1.0 CA A:ASN400 4.4 14.7 1.0 OE2 A:GLU354 4.5 16.9 1.0 C A:ASN399 4.6 16.3 1.0 CB A:HIS311 4.7 15.2 1.0 CA A:ASN399 4.7 14.8 1.0 OG A:SER401 4.8 11.0 0.5 CB A:ASN399 4.8 15.3 1.0 ND2 A:ASN309 4.8 15.6 1.0 CB A:ASN400 4.8 15.5 1.0 C A:HIS311 4.9 16.6 1.0 N A:SER401 5.0 14.4 1.0 CA A:GLU354 5.0 14.1 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of M. Tuberculosis C171Q Kasa in Complex with TLM5


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 TLM5 within 5.0Å range: probe atom residue distance (Å) B Occ B:K1417 b:18.9 occ:1.00 OE1 B:GLU354 2.6 19.8 1.0 OD1 B:ASN399 2.6 20.4 1.0 OD1 B:ASN309 2.7 19.0 1.0 O B:ASN400 2.7 18.5 1.0 O B:ASN309 2.8 18.4 1.0 O B:ALA310 3.0 19.9 1.0 C B:ALA310 3.2 18.6 1.0 C B:ASN309 3.4 17.9 1.0 N B:HIS311 3.5 17.9 1.0 CD B:GLU354 3.5 20.0 1.0 CB B:GLU354 3.6 18.1 1.0 CG B:ASN309 3.7 18.7 1.0 CG B:ASN399 3.7 20.2 1.0 CA B:HIS311 3.8 17.7 1.0 C B:ASN400 3.8 16.2 1.0 N B:ASN400 3.9 17.1 1.0 O B:HOH2333 3.9 12.1 1.0 N B:ALA310 3.9 18.5 1.0 CA B:ALA310 4.0 18.1 1.0 CG B:GLU354 4.1 18.9 1.0 CB B:ASN309 4.2 18.3 1.0 ND2 B:ASN399 4.4 22.8 1.0 CA B:ASN309 4.4 18.7 1.0 CA B:ASN400 4.4 17.2 1.0 OE2 B:GLU354 4.5 20.8 1.0 C B:ASN399 4.6 17.0 1.0 CB B:HIS311 4.7 17.8 1.0 CA B:ASN399 4.7 18.4 1.0 CB B:ASN400 4.8 18.3 1.0 ND2 B:ASN309 4.8 20.9 1.0 CB B:ASN399 4.8 17.5 1.0 OG B:SER401 4.8 15.0 0.5 C B:HIS311 4.9 18.8 1.0 N B:SER401 5.0 16.8 1.0 CG B:PRO339 5.0 21.3 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