Sodium in PDB 2qhf: Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca

All present enzymatic activity of Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca:
4.2.3.5;

The structure of Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca, PDB code: 2qhf was solved by M.Bruning, G.P.Bourenkov, N.I.Strizhov, H.D.Bartunik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.65 / 1.65
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	132.589, 132.589, 159.565, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 18.6

The structure of Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca (pdb code 2qhf). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca, PDB code: 2qhf:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca within 5.0Å range: probe atom residue distance (Å) B Occ A:Na601 b:23.5 occ:1.00 O A:HOH920 2.8 30.3 0.5 O A:HOH989 2.8 31.0 0.5 O A:HOH913 3.0 45.9 1.0 N A:ALA376 3.3 18.1 1.0 N A:LEU375 3.7 17.0 1.0 O A:HOH918 3.7 58.0 1.0 CB A:ALA376 3.7 21.1 1.0 CB A:SER374 3.8 20.1 1.0 CB A:LEU375 3.9 17.7 1.0 CA A:GLY25 4.0 18.4 1.0 OG A:SER374 4.1 19.9 1.0 O A:ALA24 4.1 17.9 1.0 CA A:LEU375 4.1 16.9 1.0 CA A:ALA376 4.1 17.1 1.0 C A:LEU375 4.1 17.4 1.0 O A:HOH1011 4.2 31.4 0.5 C A:SER374 4.3 17.4 1.0 CA A:SER374 4.5 17.5 1.0 O A:HOH919 4.6 25.6 0.5 O A:GLY25 4.7 21.6 1.0 C A:ALA24 4.8 18.9 1.0 C A:GLY25 4.8 17.9 1.0 O A:HOH914 4.8 41.6 1.0 N A:GLY25 4.8 17.9 1.0

Sodium binding site 2 out of 2 in the Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca within 5.0Å range: probe atom residue distance (Å) B Occ A:Na602 b:31.1 occ:1.00 O A:HOH1065 2.6 45.2 1.0 O A:HOH960 2.9 25.9 1.0 ND2 A:ASN293 3.0 20.6 1.0 CG A:PRO180 3.5 33.5 1.0 CB A:ASN293 3.6 20.6 1.0 CD A:PRO180 3.6 30.9 1.0 NE A:ARG309 3.7 22.9 1.0 CD A:ARG309 3.8 12.9 0.5 CG A:ASN293 3.8 19.4 1.0 CG A:PRO307 3.9 22.3 1.0 CB A:PRO307 3.9 21.0 1.0 CD A:PRO307 4.3 25.0 1.0 O A:HOH963 4.4 52.3 1.0 CG A:ARG309 4.5 20.5 1.0 O A:HOH959 4.5 57.5 1.0 O A:ASN293 4.8 19.9 1.0 CB A:PRO180 4.8 30.6 1.0 CZ A:ARG309 4.8 21.9 1.0 O A:PRO307 4.9 19.3 1.0 CA A:ASN293 4.9 21.8 1.0 OD1 A:ASN293 5.0 19.8 1.0

M.Bruning, G.P.Bourenkov, N.I.Strizhov, H.D.Bartunik. Mycobacterium Tuberculosis Chorismate Synthase in Complex with Nca To Be Published.