Magnesium in PDB 8d4a: CAS12A2 Quaternary Complex

The structure of CAS12A2 Quaternary Complex also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the CAS12A2 Quaternary Complex (pdb code 8d4a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the CAS12A2 Quaternary Complex, PDB code: 8d4a:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the CAS12A2 Quaternary Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CAS12A2 Quaternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1302 b:17.2 occ:1.00 OE2 A:GLU1063 2.1 18.1 1.0 OE1 A:GLU1063 2.1 18.1 1.0 OD2 A:ASP848 2.1 13.8 1.0 CD A:GLU1063 2.4 18.1 1.0 O3' D:DT7 3.1 27.9 1.0 CG A:ASP848 3.3 13.8 1.0 OP1 D:DT8 3.4 28.7 1.0 O A:ARG849 3.5 12.1 1.0 OD1 A:ASP848 3.8 13.8 1.0 N A:ARG849 3.8 12.1 1.0 CG A:GLU1063 3.9 18.1 1.0 P D:DT8 4.0 28.7 1.0 C3' D:DT7 4.2 27.9 1.0 C2' D:DT7 4.2 27.9 1.0 CD1 A:ILE1220 4.2 13.5 1.0 CA A:ASP848 4.4 13.8 1.0 CB A:ASP848 4.4 13.8 1.0 C5' D:DT8 4.5 28.7 1.0 C A:ARG849 4.5 12.1 1.0 C A:ASP848 4.6 13.8 1.0 MG A:MG1303 4.7 18.1 1.0 CA A:ARG849 4.7 12.1 1.0 CB A:GLU1063 4.7 18.1 1.0 C4' D:DT7 4.7 27.9 1.0 O5' D:DT8 4.7 28.7 1.0 OG1 A:THR1166 4.9 25.6 1.0

Magnesium binding site 2 out of 2 in the CAS12A2 Quaternary Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of CAS12A2 Quaternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1303 b:18.1 occ:1.00 OD1 A:ASP1213 2.3 20.0 1.0 OD1 A:ASP848 2.7 13.8 1.0 OP1 D:DT8 2.9 28.7 1.0 O A:ARG849 3.4 12.1 1.0 O A:HOH1401 3.4 12.0 1.0 CG A:ASP1213 3.5 20.0 1.0 CG A:ASP848 3.6 13.8 1.0 OP2 D:DT9 3.7 33.3 1.0 C A:ARG849 4.0 12.1 1.0 C5' D:DT8 4.0 28.7 1.0 CA A:GLY850 4.1 14.7 1.0 OP1 D:DT9 4.1 33.3 1.0 OD2 A:ASP848 4.1 13.8 1.0 P D:DT8 4.2 28.7 1.0 OD2 A:ASP1213 4.3 20.0 1.0 N A:GLY850 4.3 14.7 1.0 P D:DT9 4.3 33.3 1.0 O5' D:DT8 4.3 28.7 1.0 CB A:ASP1213 4.4 20.0 1.0 CA A:ASP1213 4.6 20.0 1.0 CB A:ASP848 4.7 13.8 1.0 N A:ARG849 4.7 12.1 1.0 MG A:MG1302 4.7 17.2 1.0 O3' D:DT8 4.8 28.7 1.0 NH2 A:ARG1180 4.8 32.9 1.0 O A:GLN853 4.9 14.9 1.0 CA A:ARG849 4.9 12.1 1.0

J.P.K.Bravo, T.Hallmark, B.Naegle, C.L.Beisel, R.N.Jackson, D.W.Taylor. Rna Targeting Unleashes Indiscriminate Nuclease Activity of Crispr-CAS12A2. Nature 2023.
ISSN: ESSN 1476-4687
PubMed: 36599980
DOI: 10.1038/S41586-022-05560-W