Sodium in PDB 6sjs: Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate

All present enzymatic activity of Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate:
2.1.1.86;

The structure of Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate, PDB code: 6sjs was solved by T.Badmann, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.160, 84.260, 86.710, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22

The binding sites of Sodium atom in the Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate (pdb code 6sjs). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate, PDB code: 6sjs:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na902 b:19.9 occ:1.00 O A:HOH1031 2.7 21.7 1.0 O A:TYR25 2.8 20.0 1.0 O A:HOH1035 2.9 23.4 1.0 O A:HOH1022 2.9 20.8 1.0 OD1 A:ASP260 3.0 20.6 1.0 O A:HOH1042 3.1 37.5 1.0 O A:HOH1016 3.1 26.0 1.0 O A:GLY19 3.5 18.3 1.0 C A:TYR25 3.9 20.6 1.0 CA A:ASP260 4.0 18.2 1.0 CG A:ASP260 4.0 18.9 1.0 O A:PRO26 4.2 18.2 1.0 O A:ALA259 4.2 19.2 1.0 CB A:ASP260 4.3 18.8 1.0 C A:GLY19 4.3 18.4 1.0 CB A:TYR25 4.4 21.1 1.0 O A:ASP260 4.4 17.2 1.0 N A:TYR25 4.5 21.6 1.0 CA A:TYR25 4.5 20.8 1.0 C A:PRO26 4.5 19.0 1.0 C A:ASP260 4.7 17.7 1.0 N A:GLY19 4.8 18.6 1.0 N A:THR27 4.8 17.8 1.0 O A:HOH1054 4.8 30.2 1.0 O A:GLN21 4.9 21.1 1.0 N A:PRO26 4.9 20.0 1.0 CA A:GLY19 4.9 18.3 1.0 N A:ASP260 4.9 18.1 1.0 O A:GLY20 4.9 20.8 1.0 O A:HOH1018 4.9 30.2 1.0 C A:ALA259 4.9 18.3 1.0

Sodium binding site 2 out of 2 in the Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Methyltransferase of the Mtga N227A Mutant From Desulfitobacterium Hafniense in Complex with Methyl-Tetrahydrofolate within 5.0Å range: probe atom residue distance (Å) B Occ B:Na902 b:30.7 occ:1.00 OE1 B:GLU61 2.8 21.0 1.0 OE1 B:GLN60 2.9 22.8 1.0 O B:LEU57 3.0 21.8 1.0 O B:MET267 3.2 19.1 1.0 CB B:ALA270 3.7 19.7 1.0 CE B:MET267 3.7 23.1 1.0 CD B:GLN60 3.7 21.5 1.0 N B:GLU61 3.7 18.4 1.0 CG B:GLN60 3.7 21.2 1.0 CB B:GLN60 3.7 19.8 1.0 C B:LEU57 3.9 20.6 1.0 CB B:MET267 3.9 21.8 1.0 C B:MET267 4.0 20.1 1.0 CD2 B:LEU57 4.0 23.1 1.0 CD B:GLU61 4.0 19.4 1.0 CA B:LEU57 4.1 20.6 1.0 CA B:GLU61 4.1 17.7 1.0 CB B:GLU61 4.2 18.5 1.0 C B:GLN60 4.3 18.2 1.0 CA B:MET267 4.4 20.2 1.0 CB B:LEU57 4.4 21.3 1.0 CA B:GLN60 4.6 19.3 1.0 CG B:MET267 4.7 22.6 1.0 CG B:GLU61 4.7 18.8 1.0 OH B:TYR264 4.8 16.8 1.0 CG B:LEU57 4.9 22.5 1.0 SD B:MET267 4.9 25.9 1.0 N B:MET268 5.0 20.5 1.0 CD1 B:LEU64 5.0 22.6 1.0 NE2 B:GLN60 5.0 21.6 1.0 OE2 B:GLU61 5.0 18.2 1.0

T.Badmann, M.Groll. Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution. Chembiochem 2019.
ISSN: ESSN 1439-7633
PubMed: 31518049
DOI: 10.1002/CBIC.201900515