Sodium in PDB 7bgg: Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis:
2.1.1.374;

The structure of Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis, PDB code: 7bgg was solved by L.Denkhaus, P.Sartor, O.Einsle, S.Gerhardt, S.Fetzner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.02 / 1.04
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.235, 70.235, 96.449, 90, 90, 120
R / Rfree (%)	17.5 / 18.1

The binding sites of Sodium atom in the Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis (pdb code 7bgg). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis, PDB code: 7bgg:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1001 b:12.8 occ:1.00 O A:SER140 2.4 11.0 1.0 O A:HOH1320 2.4 15.7 1.0 O A:HOH1226 2.4 12.6 1.0 O A:HOH1316 2.4 13.5 1.0 N7 A:SAH1000 2.6 11.6 1.0 C8 A:SAH1000 3.2 10.8 1.0 C A:SER140 3.5 9.8 1.0 CA A:MET141 3.8 10.9 1.0 C5 A:SAH1000 3.8 10.0 1.0 O A:HOH1151 4.0 17.9 1.0 N A:MET141 4.1 10.0 1.0 OD1 A:ASP22 4.2 13.9 1.0 CB A:MET141 4.2 11.5 1.0 O A:HOH1346 4.3 11.8 1.0 N6 A:SAH1000 4.3 12.9 1.0 O A:HOH1255 4.5 19.2 1.0 C6 A:SAH1000 4.5 11.6 1.0 N9 A:SAH1000 4.5 9.7 1.0 CB A:LEU21 4.6 11.2 1.0 CE2 A:PHE25 4.7 10.3 1.0 N A:LEU21 4.7 11.8 1.0 CD A:PRO142 4.7 13.1 1.0 CA A:SER140 4.8 8.9 1.0 O A:HOH1267 4.8 12.8 1.0 C4 A:SAH1000 4.8 10.5 1.0 CB A:SER140 4.9 10.1 1.0 CD2 A:PHE25 5.0 10.4 1.0 CG A:LEU21 5.0 12.8 1.0 CD2 A:LEU92 5.0 21.1 1.0 C A:MET141 5.0 10.7 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the Heterocyclic Toxin Methyltransferase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1002 b:26.6 occ:1.00 O A:HOH1280 2.2 31.9 1.0 O A:HOH1201 2.4 17.4 1.0 O A:HOH1388 2.5 30.1 1.0 O A:HOH1196 2.6 19.3 1.0 O A:HOH1199 2.8 20.3 1.0 O A:PRO201 4.0 11.7 1.0 OE1 A:GLU52 4.3 12.8 1.0 O A:HOH1425 4.3 27.2 1.0 NZ A:LYS200 4.3 22.1 1.0 OE2 A:GLU52 4.4 11.9 1.0 CE A:LYS200 4.6 17.0 1.0 O A:HOH1378 4.6 19.8 1.0 CD A:LYS200 4.7 18.4 1.0 O A:HOH1463 4.7 32.9 1.0 CD A:GLU52 4.8 11.8 1.0 O A:HOH1353 4.9 19.9 1.0

P.Sartor, L.Denkhaus, S.Gerhardt, O.Einsle, S.Fetzner. Structural Basis of O-Methylation of (2-Heptyl-)1-Hydroxyquinolin-4(1H)-One and Related Compounds By the Heterocyclic Toxin Methyltransferase RV0560C of Mycobacterium Tuberculosis J.Struct.Biol. 07794 2021.
ISSN: ESSN 1095-8657
DOI: 10.1016/J.JSB.2021.107794