Magnesium in PDB 8rvs: Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam

The structure of Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam, PDB code: 8rvs was solved by S.Gerhardt, J.N.Andexer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.53 / 1.63
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	147.246, 65.68, 74.58, 90, 90, 90
R / Rfree (%)	18.3 / 21

The structure of Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam (pdb code 8rvs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam, PDB code: 8rvs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:36.1 occ:1.00 NE2 A:HIS264 2.2 30.4 1.0 NE2 A:GLN327 2.2 35.8 1.0 NE2 A:HIS322 2.6 26.9 1.0 O A:HOH1134 2.9 33.6 1.0 CE1 A:HIS264 3.0 32.2 1.0 CE1 A:HIS322 3.3 27.0 1.0 CD A:GLN327 3.3 36.2 1.0 CD2 A:HIS264 3.3 29.0 1.0 OE2 A:GLU265 3.6 41.5 1.0 OE1 A:GLN327 3.7 38.0 1.0 O A:HOH1197 3.7 37.1 1.0 OH A:TYR318 3.7 26.2 1.0 CD2 A:HIS322 3.8 25.3 1.0 CG A:GLU265 4.2 32.8 1.0 ND1 A:HIS264 4.2 31.6 1.0 CD A:GLU265 4.2 40.0 1.0 CE A:SAM1002 4.3 31.1 0.9 CG A:HIS264 4.4 27.6 1.0 CZ A:TYR318 4.4 24.6 1.0 O A:PHE261 4.4 28.9 1.0 OH A:TYR131 4.5 24.9 1.0 ND1 A:HIS322 4.6 25.6 1.0 CG A:GLN327 4.6 32.4 1.0 CE1 A:TYR318 4.6 23.9 1.0 CB A:GLN327 4.7 28.2 1.0 CG A:HIS322 4.8 23.9 1.0 NH1 A:ARG151 4.8 26.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Bound to Sam within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:32.9 occ:1.00 NE2 B:HIS264 2.1 26.4 1.0 OE1 B:GLN327 2.2 34.5 1.0 NE2 B:HIS322 2.6 24.8 1.0 O B:HOH1189 2.9 33.7 1.0 CE1 B:HIS264 3.0 28.7 1.0 O B:HOH1111 3.1 40.7 1.0 CE1 B:HIS322 3.3 25.0 1.0 CD B:GLN327 3.3 34.6 1.0 CD2 B:HIS264 3.3 25.8 1.0 OE2 B:GLU265 3.6 44.9 1.0 NE2 B:GLN327 3.7 35.1 1.0 OH B:TYR318 3.7 28.2 1.0 CD2 B:HIS322 3.8 23.4 1.0 CG B:GLU265 4.2 30.0 1.0 CD B:GLU265 4.2 41.5 1.0 ND1 B:HIS264 4.2 28.2 1.0 CE B:SAM1002 4.3 30.7 0.8 CG B:HIS264 4.3 24.2 1.0 CZ B:TYR318 4.4 24.9 1.0 O B:PHE261 4.4 25.2 1.0 OH B:TYR131 4.4 23.5 1.0 ND1 B:HIS322 4.5 23.6 1.0 CG B:GLN327 4.6 29.3 1.0 CE1 B:TYR318 4.6 23.4 1.0 CB B:GLN327 4.7 25.7 1.0 CG B:HIS322 4.8 22.2 1.0 NH1 B:ARG151 4.8 24.7 1.0

C.Sommer-Kamann, J.Breiltgens, Z.Zou, S.Gerhardt, R.Saleem-Batcha, F.Kemper, O.Einsle, J.N.Andexer, M.Muller. Structures and Protein Engineering of the Alpha-Keto Acid C-Methyltransferases Sgvm and Mrsa For Rational Substrate Transfer. Chembiochem 00258 2024.
ISSN: ESSN 1439-7633
PubMed: 38887142
DOI: 10.1002/CBIC.202400258