Magnesium in PDB 7eji: Crystal Structure of Kred F147L/L153Q/Y190P/L199A/M205F/M206F Variant and Methyl Methacrylate Complex

The structure of Crystal Structure of Kred F147L/L153Q/Y190P/L199A/M205F/M206F Variant and Methyl Methacrylate Complex, PDB code: 7eji was solved by J.Cui, X.Huang, B.Wang, H.Zhao, J.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.69 / 1.56
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	129.04, 55.78, 128.85, 90, 103.67, 90
R / Rfree (%)	18.5 / 21.3

The binding sites of Magnesium atom in the Crystal Structure of Kred F147L/L153Q/Y190P/L199A/M205F/M206F Variant and Methyl Methacrylate Complex (pdb code 7eji). 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 Kred F147L/L153Q/Y190P/L199A/M205F/M206F Variant and Methyl Methacrylate Complex, PDB code: 7eji:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Kred F147L/L153Q/Y190P/L199A/M205F/M206F Variant and Methyl Methacrylate Complex


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 Kred F147L/L153Q/Y190P/L199A/M205F/M206F Variant and Methyl Methacrylate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:18.1 occ:1.00 O B:HOH440 2.0 19.6 1.0 O B:HOH485 2.0 20.8 1.0 O B:GLN252 2.1 21.6 1.0 O A:HOH432 2.1 18.9 1.0 O A:GLN252 2.1 19.7 1.0 O A:HOH543 2.2 23.4 1.0 C B:GLN252 3.1 20.9 1.0 C A:GLN252 3.1 20.4 1.0 OXT A:GLN252 3.4 21.8 1.0 OXT B:GLN252 3.4 21.6 1.0 O B:HOH537 4.2 31.0 1.0 O A:HOH418 4.2 31.3 1.0 O A:HOH564 4.3 29.3 1.0 O B:HOH423 4.3 36.6 1.0 O A:TYR249 4.3 17.5 1.0 O B:TYR249 4.3 17.9 1.0 CA B:GLN252 4.5 18.3 1.0 CA A:GLN252 4.5 19.4 1.0 O B:THR250 4.6 21.0 1.0 O A:THR250 4.6 22.1 1.0 CG1 B:VAL148 4.7 18.2 1.0 CG1 A:VAL148 4.7 19.5 1.0 N B:GLN252 4.7 19.0 1.0 O A:HOH435 4.7 23.3 1.0 N A:GLN252 4.8 21.0 1.0 O B:HOH448 4.8 24.8 1.0 CA B:THR250 4.8 16.4 1.0 C B:THR250 4.9 20.5 1.0 CA A:THR250 4.9 16.9 1.0 CG A:GLN252 4.9 20.9 1.0 C A:THR250 4.9 19.2 1.0 CG B:GLN252 5.0 20.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Kred F147L/L153Q/Y190P/L199A/M205F/M206F Variant and Methyl Methacrylate Complex


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 Kred F147L/L153Q/Y190P/L199A/M205F/M206F Variant and Methyl Methacrylate Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:14.3 occ:0.73 O D:HOH456 2.0 18.9 1.0 O D:HOH471 2.0 23.9 1.0 O C:HOH424 2.1 19.5 1.0 O D:GLN252 2.1 22.1 1.0 O C:GLN252 2.1 23.0 1.0 O D:HOH491 2.1 24.9 1.0 C C:GLN252 3.1 22.5 1.0 C D:GLN252 3.1 20.0 1.0 OXT C:GLN252 3.4 21.4 1.0 OXT D:GLN252 3.4 21.5 1.0 O D:HOH507 4.3 30.3 1.0 O C:HOH434 4.3 28.3 1.0 O C:TYR249 4.3 18.8 1.0 O C:HOH528 4.3 28.0 1.0 O D:TYR249 4.4 20.6 1.0 CA C:GLN252 4.5 20.2 1.0 CA D:GLN252 4.5 18.0 1.0 O D:THR250 4.6 21.5 1.0 CG1 D:VAL148 4.6 18.4 1.0 CG1 C:VAL148 4.7 18.9 1.0 N C:GLN252 4.7 19.6 1.0 N D:GLN252 4.7 19.2 1.0 O C:HOH461 4.7 25.0 1.0 O D:HOH462 4.8 24.8 1.0 O C:THR250 4.8 22.4 1.0 CA D:THR250 4.8 20.1 1.0 CG C:GLN252 4.9 22.3 1.0 C D:THR250 4.9 21.6 1.0 CA C:THR250 4.9 17.4 1.0

X.Huang, J.Feng, J.Cui, G.Jiang, W.Harrison, X.Zang, J.Zhou, B.Wang, H.Zhao. Photoinduced Chemomimetic Biocatalysis For Enantioselective Intermolecular Radical Conjugate Addition Nat Catal 2022.
ISSN: ESSN 2520-1158
DOI: 10.1038/S41929-022-00777-4