Magnesium in PDB 7ejj: Crystal Structure of Kred F147L/L153Q/Y190P Variant and Methyl Methacrylate Complex

The structure of Crystal Structure of Kred F147L/L153Q/Y190P Variant and Methyl Methacrylate Complex, PDB code: 7ejj 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)	41.63 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.018, 56.025, 127.848, 90, 104.29, 90
R / Rfree (%)	16.1 / 19.6

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

Magnesium binding site 1 out of 2 in the Crystal Structure of Kred F147L/L153Q/Y190P 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 Variant and Methyl Methacrylate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:11.6 occ:1.00 O B:HOH479 1.8 19.2 1.0 O B:HOH523 2.0 17.9 1.0 O A:HOH451 2.1 15.2 1.0 O B:HOH451 2.1 16.4 1.0 O A:GLN252 2.2 14.2 1.0 O B:GLN252 2.2 16.8 1.0 C A:GLN252 3.1 21.4 1.0 C B:GLN252 3.2 16.7 1.0 OXT A:GLN252 3.3 13.4 1.0 OXT B:GLN252 3.4 13.7 1.0 O A:HOH576 4.3 26.5 1.0 O B:HOH549 4.3 25.7 1.0 O A:TYR249 4.4 12.6 1.0 O B:TYR249 4.4 12.8 1.0 CA A:GLN252 4.5 16.7 1.0 CA B:GLN252 4.5 15.1 1.0 CG1 B:VAL148 4.6 14.5 1.0 O B:THR250 4.7 15.6 1.0 CG1 A:VAL148 4.7 15.0 1.0 N B:GLN252 4.8 13.0 1.0 O A:HOH443 4.8 15.3 1.0 N A:GLN252 4.8 13.1 1.0 O A:THR250 4.9 14.9 1.0 CA B:THR250 4.9 12.5 1.0 CG A:GLN252 4.9 14.7 1.0 O B:HOH446 4.9 15.8 1.0 CG B:GLN252 4.9 17.9 1.0 C B:THR250 4.9 16.3 1.0 CA A:THR250 5.0 11.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Kred F147L/L153Q/Y190P 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 Variant and Methyl Methacrylate Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg303 b:11.2 occ:1.00 O C:HOH447 1.8 19.4 1.0 O C:HOH530 2.0 17.8 1.0 O C:HOH457 2.0 13.4 1.0 O D:HOH438 2.1 16.8 1.0 O C:GLN252 2.1 15.3 1.0 O D:GLN252 2.2 14.4 1.0 C C:GLN252 3.1 18.4 1.0 C D:GLN252 3.2 17.0 1.0 OXT D:GLN252 3.4 12.4 1.0 OXT C:GLN252 3.4 14.0 1.0 O D:HOH568 4.3 26.9 1.0 O D:TYR249 4.3 14.3 1.0 O C:TYR249 4.4 14.2 1.0 O C:HOH551 4.5 27.5 1.0 CA C:GLN252 4.5 12.8 1.0 CA D:GLN252 4.5 15.7 1.0 CG1 C:VAL148 4.6 14.6 1.0 CG1 D:VAL148 4.7 12.2 1.0 N C:GLN252 4.7 11.9 1.0 O C:THR250 4.7 17.3 1.0 N D:GLN252 4.7 12.6 1.0 O D:HOH433 4.8 15.0 1.0 O D:THR250 4.9 13.3 1.0 CG C:GLN252 4.9 15.1 1.0 CA C:THR250 4.9 13.1 1.0 CG D:GLN252 4.9 14.4 1.0 CA D:THR250 5.0 11.8 1.0 C C:THR250 5.0 15.7 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