Magnesium in PDB 8qhe: Crystal Structure Ir-09

The structure of Crystal Structure Ir-09, PDB code: 8qhe was solved by C.W.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.89 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.255, 101.104, 36.388, 90, 90, 90
R / Rfree (%)	18.2 / 21.1

The binding sites of Magnesium atom in the Crystal Structure Ir-09 (pdb code 8qhe). 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 Crystal Structure Ir-09, PDB code: 8qhe:

Magnesium binding site 1 out of 1 in the Crystal Structure Ir-09


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Ir-09 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:41.3 occ:1.00 O A:HOH433 2.0 40.7 1.0 O A:HOH474 2.1 40.1 1.0 O A:HOH499 2.1 46.0 1.0 H61A A:NDP301 3.6 41.0 1.0 O A:HOH554 3.9 49.9 1.0 HD23 A:LEU66 4.0 42.8 1.0 OD1 A:ASP67 4.1 40.7 1.0 N6A A:NDP301 4.2 34.2 1.0 N7A A:NDP301 4.4 28.5 1.0 H62A A:NDP301 4.4 41.0 1.0 OD2 A:ASP67 4.5 34.6 1.0 CG A:ASP67 4.7 36.3 1.0 HB3 A:ALA69 4.8 41.0 1.0 CD2 A:LEU66 4.9 35.6 1.0 HB2 A:ALA70 4.9 34.2 1.0

A.R.Casamajo, Y.Yu, C.Schnepel, C.Morrill, R.Barker, C.W.Levy, J.Finnigan, V.Spelling, K.Westerlund, M.Petchey, R.J.Sheppard, R.J.Lewis, F.Falcioni, M.A.Hayes, N.J.Turner. Biocatalysis in Drug Design: Engineered Reductive Aminases (Redams) Are Used to Access Chiral Building Blocks with Multiple Stereocenters. J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
PubMed: 37782882
DOI: 10.1021/JACS.3C07010