Magnesium in PDB 9ua2: Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex

The binding sites of Magnesium atom in the Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex (pdb code 9ua2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex, PDB code: 9ua2:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:30.9 occ:1.00 O A:PHE1015 2.4 29.0 1.0 O2' B:U25 3.0 28.0 1.0 N A:LEU1241 3.1 20.4 1.0 O3' B:U25 3.3 25.1 1.0 C A:PHE1015 3.4 19.8 1.0 CG2 A:ILE1014 3.6 21.8 1.0 CA A:GLN1240 3.7 22.0 1.0 CB A:LEU1241 3.8 21.7 1.0 CA A:ALA1016 3.9 19.2 1.0 C A:GLN1240 3.9 23.6 1.0 N A:GLU1017 4.0 24.0 1.0 C3' B:U25 4.0 25.2 1.0 C4' B:U25 4.0 26.3 1.0 CA A:LEU1241 4.0 20.8 1.0 C2' B:U25 4.1 24.8 1.0 C5' B:U26 4.1 30.1 1.0 N A:ALA1016 4.1 18.2 1.0 OE1 A:GLU1017 4.2 26.8 1.0 OP1 B:U26 4.2 36.3 1.0 C A:ALA1016 4.2 22.1 1.0 CG A:GLU1017 4.3 23.9 1.0 P B:U26 4.3 39.3 1.0 O A:TYR1239 4.3 35.3 1.0 N A:PHE1015 4.4 19.0 1.0 CB A:GLN1240 4.5 22.8 1.0 O A:LEU1241 4.5 23.3 1.0 CA A:PHE1015 4.5 14.0 1.0 CB A:GLU1017 4.5 30.1 1.0 O5' B:U26 4.6 33.5 1.0 CD A:GLU1017 4.7 28.7 1.0 N A:GLN1240 4.8 22.7 1.0 C A:LEU1241 4.8 20.8 1.0 O4' B:U25 4.8 26.1 1.0 CA A:GLU1017 4.9 26.2 1.0 CG A:GLN1240 4.9 21.8 1.0 C1' B:U25 4.9 25.0 1.0 C A:TYR1239 5.0 27.1 1.0

Magnesium binding site 2 out of 4 in the Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:43.0 occ:1.00 OP2 B:U85 3.1 32.5 1.0 CA A:ARG57 3.8 22.2 1.0 CB A:ARG57 3.9 19.5 1.0 C5 B:U85 4.0 25.6 1.0 CG A:ARG57 4.1 17.7 1.0 C6 B:U84 4.2 33.4 1.0 C5 B:U84 4.3 40.7 1.0 N A:ARG57 4.3 26.8 1.0 C3' B:U84 4.3 27.1 1.0 OP2 B:U84 4.3 26.9 1.0 P B:U85 4.4 37.4 1.0 C6 B:U85 4.4 25.6 1.0 O5' B:U84 4.5 38.1 1.0 CG1 A:ILE60 4.6 25.0 1.0 O3' B:U84 4.7 29.3 1.0 CD A:ARG57 4.7 19.6 1.0 C A:THR56 4.8 26.1 1.0 CB A:ILE60 4.8 20.6 1.0 O A:THR56 4.8 31.2 1.0 C2' B:U84 4.8 32.0 1.0 N1 B:U84 4.9 30.0 1.0 C4 B:U85 4.9 32.2 1.0 CG2 A:THR56 4.9 24.2 1.0

Magnesium binding site 3 out of 4 in the Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:37.1 occ:1.00 OP2 B:A114 3.9 25.2 1.0 NH2 A:ARG279 3.9 31.5 1.0 OP1 B:A114 4.0 33.0 1.0 O6 B:G99 4.0 38.0 1.0 O6 B:G98 4.1 30.2 1.0 OP2 B:U115 4.2 33.6 1.0 C5' B:A114 4.2 38.8 1.0 N7 B:G98 4.3 32.3 1.0 P B:A114 4.3 36.8 1.0 OP2 B:C97 4.4 35.4 1.0 C5 B:C97 4.4 30.0 1.0 N4 B:C116 4.6 29.4 1.0 N4 B:C97 4.6 24.3 1.0 C4 B:C97 4.7 27.9 1.0 O5' B:A114 4.8 33.3 1.0 C6 B:G98 4.8 28.3 1.0 C5 B:G98 4.9 28.2 1.0 CZ A:ARG279 5.0 33.2 1.0

Magnesium binding site 4 out of 4 in the Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryo-Em Structure of PSCAS9-Sgrna-Dsdna (30 Nt) Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:30.3 occ:1.00 OP2 B:U25 2.8 28.3 1.0 OP2 B:U24 2.9 23.5 1.0 O5' B:U24 3.2 23.8 1.0 P B:U24 3.4 21.4 1.0 OP1 B:U24 3.9 23.1 1.0 ND2 A:ASN1110 4.1 17.5 1.0 C5 B:U25 4.3 27.1 1.0 P B:U25 4.3 28.7 1.0 C3' B:U24 4.4 28.2 1.0 C5' B:U24 4.5 26.7 1.0 CG A:ASN1110 4.5 18.8 1.0 CB A:ASN1110 4.7 19.8 1.0 O3' B:U24 4.8 23.1 1.0 OG A:SER1215 4.8 30.3 1.0 C6 B:U24 4.9 29.0 1.0 O3' B:G23 4.9 29.8 1.0 C6 B:U25 5.0 27.2 1.0

P.Shen, X.Lu, C.Wang, J.W.Huang, J.Min, J.Luo, Y.Sun, C.C.Chen, R.T.Guo. Structural and Mechanistic Investigations of A High-Fidelity CAS9 From Parasutterella Secunda Acs Catalysis V. 15 10109 2025.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.5C02993