Potassium in PDB 2gq2: Mycobacterium Tuberculosis Thyx-Nadp Complex

All present enzymatic activity of Mycobacterium Tuberculosis Thyx-Nadp Complex:
2.1.1.148;

The structure of Mycobacterium Tuberculosis Thyx-Nadp Complex, PDB code: 2gq2 was solved by P.Sampathkumar, S.Turley, C.H.Sibley, W.G.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.20 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.007, 78.090, 88.514, 90.00, 95.67, 90.00
R / Rfree (%)	21.2 / 25.5

The structure of Mycobacterium Tuberculosis Thyx-Nadp Complex also contains other interesting chemical elements:

Iodine

(I)

18 atoms

The binding sites of Potassium atom in the Mycobacterium Tuberculosis Thyx-Nadp Complex (pdb code 2gq2). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Mycobacterium Tuberculosis Thyx-Nadp Complex, PDB code: 2gq2:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Mycobacterium Tuberculosis Thyx-Nadp Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Mycobacterium Tuberculosis Thyx-Nadp Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:K603 b:25.6 occ:1.00 N3A C:NAP300 2.8 17.3 1.0 O3X C:NAP300 2.8 31.9 1.0 O D:HOH687 2.9 32.9 1.0 C2A C:NAP300 3.4 17.8 1.0 C5B D:NAP300 3.5 20.7 1.0 P2B C:NAP300 3.7 30.3 1.0 C4A C:NAP300 3.8 18.2 1.0 O2B C:NAP300 3.8 26.1 1.0 CA A:ALA191 3.9 12.1 1.0 C1B C:NAP300 3.9 19.5 1.0 O1X C:NAP300 4.0 30.9 1.0 CD2 A:HIS98 4.0 19.9 1.0 CB A:HIS194 4.1 15.9 1.0 O A:ARG190 4.1 13.3 1.0 C2B C:NAP300 4.2 21.7 1.0 C4B D:NAP300 4.2 20.7 1.0 N9A C:NAP300 4.3 18.1 1.0 N A:ALA191 4.3 12.3 1.0 CB A:ALA191 4.4 12.5 1.0 C A:ARG190 4.4 12.7 1.0 CG A:HIS194 4.4 17.2 1.0 CG A:HIS98 4.5 18.9 1.0 CB A:HIS98 4.5 18.8 1.0 O5B D:NAP300 4.6 21.0 1.0 CD2 A:HIS194 4.6 17.3 1.0 O4B D:NAP300 4.7 19.8 1.0 CG A:ARG190 4.7 12.1 1.0 N1A C:NAP300 4.7 17.3 1.0 O A:HOH785 4.7 20.5 1.0 O A:ALA191 4.9 11.6 1.0 C A:ALA191 4.9 11.6 1.0 O1A D:NAP300 4.9 24.4 1.0 NE2 A:HIS98 5.0 17.9 1.0 C5A C:NAP300 5.0 18.6 1.0

Potassium binding site 2 out of 4 in the Mycobacterium Tuberculosis Thyx-Nadp Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Mycobacterium Tuberculosis Thyx-Nadp Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:K604 b:18.2 occ:1.00 O3X D:NAP300 2.5 28.8 1.0 N3A D:NAP300 2.7 22.4 1.0 O C:HOH610 2.8 38.9 1.0 C2A D:NAP300 3.3 22.5 1.0 P2B D:NAP300 3.5 30.6 1.0 CA B:ALA191 3.8 12.3 1.0 O1X D:NAP300 3.8 30.4 1.0 C4A D:NAP300 3.8 21.8 1.0 C5B C:NAP300 3.8 20.0 1.0 O2B D:NAP300 3.9 25.8 1.0 C1B D:NAP300 4.0 21.6 1.0 CB B:HIS194 4.1 15.5 1.0 O B:ARG190 4.1 10.6 1.0 C2B D:NAP300 4.1 22.5 1.0 N B:ALA191 4.1 11.4 1.0 CD2 B:HIS98 4.2 20.0 1.0 C B:ARG190 4.3 11.2 1.0 N9A D:NAP300 4.3 21.7 1.0 CB B:ALA191 4.3 12.0 1.0 CG B:HIS194 4.4 16.4 1.0 C4B C:NAP300 4.4 20.5 1.0 CB B:HIS98 4.5 18.9 1.0 CG B:ARG190 4.5 11.4 1.0 CG B:HIS98 4.6 20.6 1.0 CD2 B:HIS194 4.6 17.8 1.0 N1A D:NAP300 4.6 22.4 1.0 O B:HOH680 4.7 21.6 1.0 O5B C:NAP300 4.8 20.3 1.0 O4B C:NAP300 4.8 18.7 1.0 C B:ALA191 4.8 11.8 1.0 O B:ALA191 4.9 10.3 1.0 O2X D:NAP300 4.9 30.5 1.0 CD B:ARG190 4.9 10.9 1.0 C5A D:NAP300 5.0 22.9 1.0

Potassium binding site 3 out of 4 in the Mycobacterium Tuberculosis Thyx-Nadp Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Mycobacterium Tuberculosis Thyx-Nadp Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:K601 b:13.9 occ:1.00 N3A A:NAP300 2.7 24.9 1.0 O1X A:NAP300 2.7 36.3 1.0 O B:HOH628 2.8 22.4 1.0 C2A A:NAP300 3.4 23.7 1.0 C5B B:NAP300 3.7 21.5 1.0 C4A A:NAP300 3.7 25.6 1.0 P2B A:NAP300 3.7 36.2 1.0 CA C:ALA191 3.8 12.2 1.0 C1B A:NAP300 3.9 26.5 1.0 O2B A:NAP300 3.9 32.4 1.0 C2B A:NAP300 4.1 27.2 1.0 O2X A:NAP300 4.1 36.5 1.0 CB C:HIS194 4.1 15.4 1.0 N9A A:NAP300 4.2 25.7 1.0 N C:ALA191 4.2 11.4 1.0 O C:ARG190 4.2 10.6 1.0 CD2 C:HIS98 4.2 18.3 1.0 C4B B:NAP300 4.2 24.2 1.0 C C:ARG190 4.3 11.2 1.0 CB C:ALA191 4.3 11.5 1.0 CG C:ARG190 4.5 11.8 1.0 CG C:HIS194 4.5 15.3 1.0 CB C:HIS98 4.5 19.4 1.0 CG C:HIS98 4.6 20.0 1.0 O4B B:NAP300 4.7 20.4 1.0 N1A A:NAP300 4.7 24.2 1.0 CD2 C:HIS194 4.8 16.8 1.0 O5B B:NAP300 4.8 22.6 1.0 O A:HOH787 4.8 21.8 1.0 C C:ALA191 4.9 11.2 1.0 O C:ALA191 4.9 11.4 1.0 C5A A:NAP300 4.9 26.3 1.0 CD C:ARG190 4.9 10.0 1.0

Potassium binding site 4 out of 4 in the Mycobacterium Tuberculosis Thyx-Nadp Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Mycobacterium Tuberculosis Thyx-Nadp Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:K602 b:18.7 occ:1.00 O3X B:NAP300 2.6 35.3 1.0 N3A B:NAP300 2.6 21.9 1.0 C2A B:NAP300 3.3 22.4 1.0 P2B B:NAP300 3.5 35.4 1.0 C4A B:NAP300 3.6 22.3 1.0 C5B A:NAP300 3.6 24.4 1.0 O1X B:NAP300 3.7 34.4 1.0 CA D:ALA191 3.7 11.9 1.0 O2B B:NAP300 3.8 29.1 1.0 C1B B:NAP300 3.9 24.3 1.0 CB D:HIS194 4.0 15.4 1.0 C2B B:NAP300 4.1 24.6 1.0 ND1 D:HIS98 4.1 19.9 1.0 O D:ARG190 4.1 11.4 1.0 N9A B:NAP300 4.1 22.4 1.0 N D:ALA191 4.2 11.6 1.0 CB D:ALA191 4.2 11.7 1.0 C4B A:NAP300 4.2 26.5 1.0 C D:ARG190 4.3 11.5 1.0 CG D:HIS194 4.4 17.4 1.0 CB D:HIS98 4.5 18.9 1.0 CG D:ARG190 4.5 11.5 1.0 CG D:HIS98 4.5 19.9 1.0 O D:HOH676 4.6 25.1 1.0 N1A B:NAP300 4.6 20.3 1.0 O5B A:NAP300 4.7 25.0 1.0 O4B A:NAP300 4.7 22.4 1.0 CD2 D:HIS194 4.8 18.6 1.0 C D:ALA191 4.8 12.3 1.0 O D:ALA191 4.9 12.1 1.0 C5A B:NAP300 4.9 22.6 1.0 CE1 D:HIS98 4.9 18.2 1.0 O2X B:NAP300 4.9 35.4 1.0 CD D:ARG190 5.0 9.8 1.0

P.Sampathkumar, S.Turley, C.H.Sibley, W.G.Hol. Nadp+ Expels Both the Co-Factor and A Substrate Analog From the Mycobacterium Tuberculosis Thyx Active Site: Opportunities For Anti-Bacterial Drug Design. J.Mol.Biol. V. 360 1 2006.
ISSN: ISSN 0022-2836
PubMed: 16730023
DOI: 10.1016/J.JMB.2006.04.061