Magnesium in PDB 6a1r: Mandelate Oxidase Mutant-Y128F with the N5-Phenylacetyl-Fmn Adduct

All present enzymatic activity of Mandelate Oxidase Mutant-Y128F with the N5-Phenylacetyl-Fmn Adduct:
1.1.3.46;

The structure of Mandelate Oxidase Mutant-Y128F with the N5-Phenylacetyl-Fmn Adduct, PDB code: 6a1r 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 / 1.65
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	138.124, 138.124, 112.169, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 18.5

The binding sites of Magnesium atom in the Mandelate Oxidase Mutant-Y128F with the N5-Phenylacetyl-Fmn Adduct (pdb code 6a1r). 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 the N5-Phenylacetyl-Fmn Adduct, PDB code: 6a1r:

Magnesium binding site 1 out of 1 in the Mandelate Oxidase Mutant-Y128F with the N5-Phenylacetyl-Fmn Adduct


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 the N5-Phenylacetyl-Fmn Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:17.1 occ:1.00 OAK A:9OC401 2.7 11.1 1.0 O A:LEU304 2.8 9.3 1.0 N A:GLY284 2.9 6.8 1.0 N A:ILE286 3.2 7.9 1.0 CG1 A:ILE286 3.4 10.9 1.0 N A:GLY285 3.4 8.4 1.0 C A:GLY284 3.5 10.2 1.0 CB A:ILE286 3.5 10.6 1.0 CA A:GLY284 3.5 8.2 1.0 PBN A:9OC401 3.6 9.8 1.0 C A:ASP283 3.8 9.9 1.0 OAX A:9OC401 3.9 11.5 1.0 C A:LEU304 3.9 8.8 1.0 CA A:ILE286 3.9 8.4 1.0 CA A:ASP283 3.9 7.8 1.0 CB A:ASP283 4.0 8.6 1.0 CA A:VAL305 4.0 7.3 1.0 OAE A:9OC401 4.0 12.3 1.0 CAT A:9OC401 4.1 9.2 1.0 O A:GLY284 4.1 12.1 1.0 C A:GLY285 4.2 7.9 1.0 NH1 A:ARG287 4.3 10.8 1.0 CA A:GLY285 4.3 9.5 1.0 N A:VAL305 4.4 8.3 1.0 N A:GLY306 4.4 9.4 1.0 O A:ILE286 4.5 10.2 1.0 C A:ILE286 4.7 10.0 1.0 C A:VAL305 4.7 8.4 1.0 CD1 A:ILE286 4.8 11.7 1.0 CG2 A:ILE286 4.9 12.7 1.0 CG2 A:VAL305 4.9 11.7 1.0 CB A:VAL305 4.9 7.9 1.0 CG A:ASP283 5.0 12.3 1.0 O A:ASP283 5.0 11.2 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