Magnesium in PDB 6dyg: Fe(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y

The structure of Fe(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y, PDB code: 6dyg was solved by F.A.Tezcan, J.Rittle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.50 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.739, 83.513, 39.088, 90.00, 99.99, 90.00
R / Rfree (%)	19.1 / 21.7

The structure of Fe(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Magnesium atom in the Fe(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y (pdb code 6dyg). 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 Fe(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y, PDB code: 6dyg:

Magnesium binding site 1 out of 1 in the Fe(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fe(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:57.5 occ:1.00 O1A B:HEC201 2.5 36.6 1.0 OE1 B:GLU4 2.6 45.1 1.0 CGA B:HEC201 3.3 70.1 1.0 O2A B:HEC201 3.4 45.8 1.0 CD B:GLU4 3.8 32.5 1.0 HG2 B:GLU4 4.0 35.2 1.0 O B:HOH312 4.1 35.1 1.0 CG B:GLU4 4.4 29.3 1.0 HB3 B:GLU4 4.7 33.0 1.0 CBA B:HEC201 4.8 27.3 1.0 OE2 B:GLU4 4.8 50.2 1.0 HBA2 B:HEC201 4.9 32.8 1.0

J.Rittle, M.J.Field, M.T.Green, F.A.Tezcan. An Efficient, Step-Economical Strategy For the Design of Functional Metalloproteins. Nat.Chem. V. 11 434 2019.
ISSN: ESSN 1755-4349
PubMed: 30778140
DOI: 10.1038/S41557-019-0218-9