Magnesium in PDB 7vdo: Crystal Structure of Kred F147L/L153Q/Y190P Variant

The structure of Crystal Structure of Kred F147L/L153Q/Y190P Variant, PDB code: 7vdo 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)	31.90 / 1.86
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	127.61, 55.44, 128.95, 90, 103.94, 90
R / Rfree (%)	15.8 / 19.8

The structure of Crystal Structure of Kred F147L/L153Q/Y190P Variant also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Kred F147L/L153Q/Y190P Variant (pdb code 7vdo). 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, PDB code: 7vdo:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:23.0 occ:1.00 O A:HOH463 2.0 20.9 1.0 O D:HOH466 2.0 23.7 1.0 O A:GLN252 2.1 23.1 1.0 O A:HOH521 2.1 22.9 1.0 O D:HOH456 2.1 21.8 1.0 O D:GLN252 2.1 21.3 1.0 C A:GLN252 3.1 26.9 1.0 C D:GLN252 3.2 26.8 1.0 OXT A:GLN252 3.4 23.3 1.0 OXT D:GLN252 3.5 22.7 1.0 O A:HOH552 4.3 30.5 1.0 O D:TYR249 4.3 18.7 1.0 O D:HOH542 4.4 30.5 1.0 CA A:GLN252 4.4 20.4 1.0 O A:TYR249 4.4 18.4 1.0 CA D:GLN252 4.5 21.5 1.0 O D:THR250 4.6 21.2 1.0 CG1 D:VAL148 4.6 21.1 1.0 N A:GLN252 4.7 21.8 1.0 N D:GLN252 4.7 23.3 1.0 CG1 A:VAL148 4.8 18.4 1.0 O A:THR250 4.8 20.3 1.0 CG A:GLN252 4.8 21.0 1.0 O A:HOH436 4.8 26.0 1.0 CG D:GLN252 4.9 23.6 1.0 C D:THR250 4.9 17.8 1.0 CA D:THR250 4.9 19.6 1.0 O D:HOH411 4.9 22.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Kred F147L/L153Q/Y190P Variant


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:24.0 occ:1.00 O B:HOH423 2.0 22.8 1.0 O C:HOH472 2.1 19.5 1.0 O C:HOH492 2.1 27.2 1.0 O C:GLN252 2.1 24.0 1.0 O C:HOH539 2.2 26.6 1.0 O B:GLN252 2.2 24.7 1.0 C C:GLN252 3.1 29.4 1.0 C B:GLN252 3.1 29.1 1.0 OXT B:GLN252 3.3 21.8 1.0 OXT C:GLN252 3.4 22.8 1.0 O C:HOH534 4.2 28.6 1.0 O B:HOH537 4.3 28.0 1.0 O C:TYR249 4.3 20.6 1.0 O B:TYR249 4.4 19.8 1.0 CA C:GLN252 4.4 20.6 1.0 O B:HOH413 4.5 26.3 1.0 CA B:GLN252 4.5 25.6 1.0 O C:THR250 4.5 18.3 1.0 N C:GLN252 4.7 19.7 1.0 O B:HOH444 4.7 23.6 1.0 CG1 C:VAL148 4.8 19.1 1.0 N B:GLN252 4.8 20.5 1.0 CG1 B:VAL148 4.8 22.1 1.0 C C:THR250 4.8 21.3 1.0 CG C:GLN252 4.9 20.2 1.0 CG B:GLN252 4.9 22.1 1.0 CA C:THR250 4.9 16.4 1.0 O C:HOH444 4.9 25.4 1.0 O B:THR250 4.9 22.6 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