Magnesium in PDB 9fx6: Crystal Structure of CRYO2RT Sars-Cov-2 Main Protease at 100K

All present enzymatic activity of Crystal Structure of CRYO2RT Sars-Cov-2 Main Protease at 100K:
3.4.22.69;

The structure of Crystal Structure of CRYO2RT Sars-Cov-2 Main Protease at 100K, PDB code: 9fx6 was solved by C.Y.Huang, S.Aumonier, A.Mac Sweeney, V.Olieric, M.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.76 / 2.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.118, 99.267, 103.67, 90, 90, 90
R / Rfree (%)	21.7 / 26.7

The binding sites of Magnesium atom in the Crystal Structure of CRYO2RT Sars-Cov-2 Main Protease at 100K (pdb code 9fx6). 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 of CRYO2RT Sars-Cov-2 Main Protease at 100K, PDB code: 9fx6:

Magnesium binding site 1 out of 1 in the Crystal Structure of CRYO2RT Sars-Cov-2 Main Protease at 100K


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 CRYO2RT Sars-Cov-2 Main Protease at 100K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:50.2 occ:1.00 OD1 B:ASP263 2.2 45.8 1.0 OD1 B:ASN221 2.2 38.9 1.0 O B:PHE223 2.3 40.1 1.0 O B:HOH508 2.5 44.0 1.0 O B:ASP263 2.7 40.0 1.0 O B:ASN221 2.8 34.6 1.0 C B:PHE223 3.4 40.0 1.0 CG B:ASP263 3.4 45.6 1.0 CG B:ASN221 3.4 38.1 1.0 C B:ASP263 3.5 39.9 1.0 C B:ASN221 3.5 35.2 1.0 N B:PHE223 3.7 35.8 1.0 CA B:ASP263 3.8 40.8 1.0 N B:ASN221 3.9 36.5 1.0 CB B:ALA266 3.9 40.0 1.0 CA B:PHE223 4.0 37.4 1.0 CA B:ASN221 4.1 35.7 1.0 CB B:ASP263 4.1 41.9 1.0 OG B:SER267 4.2 42.6 1.0 C B:ARG222 4.2 35.4 0.4 C B:ARG222 4.3 35.8 0.6 CB B:ASN221 4.3 36.1 1.0 ND2 B:ASN221 4.3 38.2 1.0 OD2 B:ASP263 4.4 47.0 1.0 N B:ARG222 4.4 34.8 0.4 N B:ARG222 4.4 35.4 0.6 N B:SER267 4.5 38.5 1.0 N B:THR224 4.5 41.7 1.0 CB B:PHE223 4.6 36.7 1.0 N B:MET264 4.6 38.8 1.0 CA B:ARG222 4.8 34.6 0.4 CA B:ARG222 4.8 35.6 0.6 C B:ALA266 4.8 38.9 1.0 O B:ARG222 4.8 35.6 0.4 CA B:ALA266 4.8 39.5 1.0 O B:ARG222 4.9 36.0 0.6 CA B:THR224 5.0 44.2 1.0

C.Y.Huang, S.Aumonier, V.Olieric, M.Wang. CRYO2RT: A High-Throughput Method For Room-Temperature Macromolecular Crystallography From Frozen Crystals CRYO2RT: A High-Throughput Method For Room-Temperature Macromolecular Crystallography From Frozen Crystals CRYO2RT: A High-Throughput Method For Room-Temperature Macromolecular Crystallography From Frozen Crystals CRYO2RT: A High-Throughput Method For Room-Temperature Macromolecular Crystallography From Frozen Crystals Acta Crystallogr.,Sect.D 2024.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798324006697