Magnesium in PDB 6a1l: Mandelate Oxidase Mutant-Y128F with 5-Deazariboflavin Mononucleotide and Benzoic Acid

All present enzymatic activity of Mandelate Oxidase Mutant-Y128F with 5-Deazariboflavin Mononucleotide and Benzoic Acid:
1.1.3.46;

The structure of Mandelate Oxidase Mutant-Y128F with 5-Deazariboflavin Mononucleotide and Benzoic Acid, PDB code: 6a1l was solved by T.L.Li, K.H.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.40
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	137.721, 137.721, 111.585, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 18.6

The binding sites of Magnesium atom in the Mandelate Oxidase Mutant-Y128F with 5-Deazariboflavin Mononucleotide and Benzoic Acid (pdb code 6a1l). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Mandelate Oxidase Mutant-Y128F with 5-Deazariboflavin Mononucleotide and Benzoic Acid, PDB code: 6a1l:

Magnesium binding site 1 out of 1 in the Mandelate Oxidase Mutant-Y128F with 5-Deazariboflavin Mononucleotide and Benzoic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mandelate Oxidase Mutant-Y128F with 5-Deazariboflavin Mononucleotide and Benzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:19.1 occ:1.00 OBE A:9O9401 2.6 16.1 1.0 O A:LEU304 2.8 12.4 1.0 N A:GLY284 2.9 11.2 1.0 N A:ILE286 3.1 11.7 1.0 N A:GLY285 3.4 12.2 1.0 CG1 A:ILE286 3.4 13.4 1.0 CB A:ILE286 3.4 12.1 1.0 C A:GLY284 3.5 12.3 1.0 CA A:GLY284 3.6 13.0 1.0 PBB A:9O9401 3.7 14.0 1.0 C A:ASP283 3.8 11.9 1.0 CA A:ILE286 3.9 11.8 1.0 OAX A:9O9401 3.9 23.4 1.0 OBC A:9O9401 3.9 14.3 1.0 CA A:ASP283 3.9 11.8 1.0 CB A:ASP283 3.9 11.1 1.0 C A:LEU304 3.9 11.2 1.0 CA A:VAL305 4.0 12.3 1.0 CAW A:9O9401 4.1 18.6 1.0 C A:GLY285 4.1 11.8 1.0 NH1 A:ARG287 4.2 16.5 1.0 O A:GLY284 4.2 14.8 1.0 CA A:GLY285 4.3 13.1 1.0 O A:ILE286 4.4 15.0 1.0 N A:VAL305 4.4 12.6 1.0 N A:GLY306 4.5 13.1 1.0 C A:ILE286 4.6 13.7 1.0 C A:VAL305 4.8 12.1 1.0 CD1 A:ILE286 4.8 15.7 1.0 CG2 A:ILE286 4.8 15.6 1.0 CG2 A:VAL305 4.9 14.0 1.0 CB A:VAL305 4.9 12.1 1.0 CG A:ASP283 4.9 12.1 1.0 O A:ASP283 4.9 12.4 1.0

S.Y.Lyu, K.H.Lin, H.W.Yeh, Y.S.Li, C.M.Huang, Y.L.Wang, H.W.Shih, N.S.Hsu, C.J.Wu, T.L.Li. The Flavin Mononucleotide Cofactor in Alpha-Hydroxyacid Oxidases Exerts Its Electrophilic/Nucleophilic Duality in Control of the Substrate-Oxidation Level. Acta Crystallogr D Struct V. 75 918 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31588923
DOI: 10.1107/S2059798319011938