Magnesium in PDB 8r4z: Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form

The structure of Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form, PDB code: 8r4z was solved by S.Gerhardt, F.Kemper, J.N.Andexer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.31 / 1.54
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	148.135, 66.173, 74.312, 90, 90, 90
R / Rfree (%)	16.7 / 18.7

The binding sites of Magnesium atom in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form (pdb code 8r4z). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form, PDB code: 8r4z:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form


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 Native-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:23.3 occ:1.00 NE2 A:HIS264 2.1 21.6 1.0 OE1 A:GLN327 2.3 36.7 1.0 O A:HOH1104 2.3 41.2 1.0 NE2 A:HIS322 2.4 27.0 1.0 CD2 A:HIS264 3.1 21.3 1.0 O A:HOH1109 3.1 26.3 1.0 CE1 A:HIS264 3.1 21.5 1.0 CE1 A:HIS322 3.3 26.4 1.0 CD A:GLN327 3.3 48.0 1.0 OH A:TYR318 3.5 26.0 1.0 CD2 A:HIS322 3.5 26.3 1.0 NE2 A:GLN327 3.7 40.0 1.0 CZ A:TYR318 4.2 25.8 1.0 CG A:HIS264 4.2 19.2 1.0 ND1 A:HIS264 4.2 21.0 1.0 ND1 A:HIS322 4.5 25.8 1.0 O A:PHE261 4.6 25.5 1.0 CG A:GLN327 4.6 27.4 1.0 CE1 A:TYR318 4.6 24.4 1.0 CG A:HIS322 4.6 24.1 1.0 CG A:GLU265 4.6 28.6 1.0 OE2 A:GLU265 4.6 51.2 1.0 OH A:TYR131 4.7 20.3 1.0 CB A:GLN327 4.8 21.9 1.0 O A:HOH1135 5.0 50.2 1.0 O A:HOH1380 5.0 47.9 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form


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 Native-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:28.2 occ:1.00 O A:HOH1405 2.2 41.0 1.0 O A:GLN327 2.3 25.2 1.0 O A:THR325 2.5 21.3 1.0 O A:HIS322 2.6 25.8 1.0 O A:HOH1319 2.9 31.4 1.0 C A:GLN327 3.4 24.1 1.0 N A:GLN327 3.5 20.0 1.0 C A:THR325 3.7 19.7 1.0 C A:HIS322 3.7 22.8 1.0 CZ3 A:TRP148 3.8 27.6 1.0 CH2 A:TRP148 4.0 28.6 1.0 CA A:GLN327 4.1 19.9 1.0 C A:CYS323 4.2 20.8 1.0 CA A:ASN326 4.2 17.5 0.5 C A:ASN326 4.2 22.6 1.0 CA A:CYS323 4.3 16.9 1.0 CA A:ASN326 4.3 18.0 0.5 O A:CYS323 4.4 22.8 1.0 N A:LEU328 4.4 17.6 1.0 O A:HOH1163 4.4 27.6 1.0 N A:CYS323 4.4 16.3 1.0 N A:ASN326 4.5 17.7 1.0 N A:THR325 4.5 17.2 1.0 CE3 A:TRP148 4.5 25.9 1.0 CA A:LEU328 4.5 17.7 1.0 O A:HOH1329 4.6 17.5 1.0 CA A:HIS322 4.7 17.5 1.0 CA A:THR325 4.7 16.9 1.0 N A:PHE324 4.7 16.7 1.0 CD1 A:LEU328 4.8 23.6 1.0 CZ2 A:TRP148 4.8 28.0 1.0 CB A:LEU328 4.9 18.7 1.0 OG1 A:THR325 4.9 22.8 1.0 CB A:GLN327 5.0 21.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:28.2 occ:1.00 NE2 B:HIS264 2.1 23.9 1.0 OE1 B:GLN327 2.3 42.3 1.0 NE2 B:HIS322 2.4 28.6 1.0 O B:HOH1132 2.6 44.4 1.0 CD2 B:HIS264 3.1 23.6 1.0 CE1 B:HIS264 3.1 24.6 1.0 O B:HOH1119 3.1 26.4 1.0 CE1 B:HIS322 3.3 28.1 1.0 CD B:GLN327 3.4 47.1 1.0 OH B:TYR318 3.4 25.2 1.0 CD2 B:HIS322 3.5 29.0 1.0 O B:HOH1172 3.6 60.7 1.0 NE2 B:GLN327 3.9 39.6 1.0 CZ B:TYR318 4.2 26.1 1.0 CG B:HIS264 4.3 22.7 1.0 ND1 B:HIS264 4.3 24.7 1.0 ND1 B:HIS322 4.5 27.1 1.0 CG B:GLN327 4.6 31.8 1.0 CE1 B:TYR318 4.6 23.1 1.0 OE2 B:GLU265 4.6 55.4 1.0 CG B:HIS322 4.6 25.3 1.0 CG B:GLU265 4.6 29.7 1.0 O B:PHE261 4.6 31.6 1.0 OH B:TYR131 4.7 21.2 1.0 CB B:GLN327 4.8 24.0 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Alpha Keto Acid C-Methyl-Transferases Mrsa Native-Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:29.2 occ:1.00 O B:GLN327 2.4 26.6 1.0 O B:HOH1370 2.4 40.0 1.0 O B:THR325 2.5 21.4 1.0 O B:HIS322 2.6 25.1 1.0 O B:HOH1349 2.7 37.4 1.0 C B:GLN327 3.5 26.6 1.0 N B:GLN327 3.6 22.6 1.0 C B:HIS322 3.7 22.1 1.0 C B:THR325 3.7 20.1 1.0 CZ3 B:TRP148 3.8 28.2 1.0 CH2 B:TRP148 4.0 29.4 1.0 C B:CYS323 4.1 20.8 1.0 CA B:CYS323 4.2 17.5 1.0 CA B:GLN327 4.2 22.7 1.0 O B:CYS323 4.4 21.2 1.0 C B:ASN326 4.4 24.6 1.0 N B:CYS323 4.4 16.6 1.0 CA B:ASN326 4.4 19.4 1.0 O B:HOH1150 4.4 27.7 1.0 N B:LEU328 4.4 21.2 1.0 N B:THR325 4.5 17.1 1.0 CA B:LEU328 4.5 19.7 1.0 CE3 B:TRP148 4.5 25.9 1.0 N B:ASN326 4.5 17.8 1.0 O B:HOH1298 4.5 20.9 1.0 CA B:HIS322 4.7 18.6 1.0 N B:PHE324 4.7 16.6 1.0 CD1 B:LEU328 4.7 27.9 1.0 CA B:THR325 4.7 16.2 1.0 CB B:LEU328 4.9 21.4 1.0 CZ2 B:TRP148 4.9 29.9 1.0 OG1 B:THR325 4.9 23.9 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