Magnesium in PDB 7ve7: Crystal Structure of Kred Mutant-F147L/L153Q/Y190P/L199A/M205F/M206F

The structure of Crystal Structure of Kred Mutant-F147L/L153Q/Y190P/L199A/M205F/M206F, PDB code: 7ve7 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)	21.33 / 1.72
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	128.31, 55.57, 128.56, 90, 103.89, 90
R / Rfree (%)	17.4 / 21

The binding sites of Magnesium atom in the Crystal Structure of Kred Mutant-F147L/L153Q/Y190P/L199A/M205F/M206F (pdb code 7ve7). 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 Mutant-F147L/L153Q/Y190P/L199A/M205F/M206F, PDB code: 7ve7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Kred Mutant-F147L/L153Q/Y190P/L199A/M205F/M206F


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 Mutant-F147L/L153Q/Y190P/L199A/M205F/M206F within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:28.8 occ:1.00 O B:HOH446 1.9 34.0 1.0 O A:HOH415 2.1 30.9 1.0 O A:GLN252 2.1 30.5 1.0 O B:GLN252 2.1 29.9 1.0 C A:GLN252 3.0 37.2 1.0 C B:GLN252 3.2 36.7 1.0 OXT A:GLN252 3.3 34.3 1.0 OXT B:GLN252 3.5 32.9 1.0 O B:TYR249 4.3 30.7 1.0 O B:HOH475 4.3 45.5 1.0 O A:HOH512 4.3 40.4 1.0 O A:TYR249 4.4 29.6 1.0 CA A:GLN252 4.4 35.2 1.0 CA B:GLN252 4.5 34.5 1.0 O A:HOH456 4.5 40.5 1.0 O B:THR250 4.6 29.7 1.0 O A:HOH438 4.7 36.8 1.0 CG1 B:VAL148 4.7 32.1 1.0 N A:GLN252 4.7 30.8 1.0 N B:GLN252 4.7 35.0 1.0 O B:HOH420 4.7 37.2 1.0 CG1 A:VAL148 4.8 28.2 1.0 O A:THR250 4.8 32.4 1.0 CA B:THR250 4.8 25.6 1.0 CG A:GLN252 4.9 32.9 1.0 CG B:GLN252 4.9 33.8 1.0 C B:THR250 4.9 27.4 1.0 CA A:THR250 5.0 26.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Kred Mutant-F147L/L153Q/Y190P/L199A/M205F/M206F


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 Mutant-F147L/L153Q/Y190P/L199A/M205F/M206F within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:32.9 occ:1.00 O D:HOH452 2.0 37.8 1.0 O D:HOH466 2.0 34.1 1.0 O D:GLN252 2.1 32.8 1.0 O C:HOH416 2.2 33.0 1.0 O C:GLN252 2.2 32.4 1.0 C D:GLN252 3.1 37.5 1.0 C C:GLN252 3.2 37.9 1.0 OXT D:GLN252 3.3 32.6 1.0 OXT C:GLN252 3.5 32.0 1.0 O C:TYR249 4.2 30.0 1.0 O D:HOH469 4.2 47.5 1.0 O C:HOH473 4.3 45.1 1.0 CA D:GLN252 4.4 31.6 1.0 O D:TYR249 4.5 30.2 1.0 CA C:GLN252 4.5 34.6 1.0 O D:THR250 4.6 30.4 1.0 CG1 C:VAL148 4.6 32.5 1.0 O C:THR250 4.7 29.3 1.0 O C:HOH412 4.7 35.9 1.0 N D:GLN252 4.8 30.4 1.0 CG1 D:VAL148 4.8 29.1 1.0 N C:GLN252 4.8 32.1 1.0 CA C:THR250 4.8 27.7 1.0 CG C:GLN252 4.8 33.1 1.0 O D:HOH434 4.9 41.0 1.0 C C:THR250 4.9 33.9 1.0 C D:THR250 5.0 32.2 1.0 CG D:GLN252 5.0 39.9 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