Magnesium in PDB 7s4x: CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation

The binding sites of Magnesium atom in the CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation (pdb code 7s4x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation, PDB code: 7s4x:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1401 b:42.7 occ:1.00 OE1 A:GLU762 1.9 35.0 1.0 OD1 A:ASP10 2.0 30.0 1.0 CG A:ASP10 3.1 30.0 1.0 CD A:GLU762 3.1 35.0 1.0 P D:DC34 3.3 44.5 1.0 OD2 A:ASP10 3.6 30.0 1.0 OP1 D:DC34 3.8 44.5 1.0 OE2 A:GLU762 3.8 35.0 1.0 O5' D:DC34 4.0 44.5 1.0 C5' D:DC34 4.0 44.5 1.0 O A:ILE11 4.1 29.9 1.0 CG A:GLU762 4.1 35.0 1.0 MG A:MG1402 4.2 32.8 1.0 CB A:ASP10 4.3 30.0 1.0 OP2 D:DC34 4.3 44.5 1.0 CB A:GLU762 4.4 35.0 1.0 CA A:ASP10 4.5 30.0 1.0 C A:ASP10 4.6 30.0 1.0 N A:ILE11 4.6 29.9 1.0 C A:ILE11 4.9 29.9 1.0 OD2 A:ASP986 4.9 29.2 1.0 OG A:SER960 4.9 38.6 1.0

Magnesium binding site 2 out of 5 in the CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1402 b:32.8 occ:1.00 OP1 D:DC34 1.9 44.5 1.0 OD2 A:ASP10 2.0 30.0 1.0 ND1 A:HIS983 2.1 30.4 1.0 CE1 A:HIS983 2.8 30.4 1.0 CG A:ASP10 3.1 30.0 1.0 CG A:HIS983 3.2 30.4 1.0 P D:DC34 3.2 44.5 1.0 OG A:SER15 3.6 33.2 1.0 OD1 A:ASP10 3.6 30.0 1.0 CB A:HIS983 3.7 30.4 1.0 CA A:HIS983 3.9 30.4 1.0 NE2 A:HIS983 4.0 30.4 1.0 O A:ASP10 4.1 30.0 1.0 C5' D:DC34 4.1 44.5 1.0 O5' D:DC34 4.1 44.5 1.0 MG A:MG1401 4.2 42.7 1.0 CD2 A:HIS983 4.2 30.4 1.0 CB A:ASP10 4.3 30.0 1.0 OP2 D:DC34 4.3 44.5 1.0 OP1 D:DG35 4.6 55.5 1.0 C A:ASP10 4.7 30.0 1.0 N A:HIS983 4.7 30.4 1.0 CD2 A:HIS982 4.7 30.8 1.0 OD2 A:ASP986 4.7 29.2 1.0 CB A:SER15 4.8 33.2 1.0 OP2 D:DG35 4.8 55.5 1.0 NE2 A:HIS982 4.9 30.8 1.0 C A:HIS983 5.0 30.4 1.0

Magnesium binding site 3 out of 5 in the CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1403 b:49.6 occ:1.00 OD1 A:ASP839 2.4 54.6 1.0 OP2 c:DT23 2.5 51.7 1.0 OD1 A:ASN863 3.1 58.8 1.0 CG A:ASP839 3.6 54.6 1.0 O A:HIS840 3.9 51.3 1.0 P c:DT23 3.9 51.7 1.0 NZ A:LYS866 3.9 64.0 1.0 C3' C:DG22 4.0 49.8 1.0 N A:HIS840 4.0 51.3 1.0 CG A:ASN863 4.1 58.8 1.0 O A:LYS866 4.1 64.0 1.0 O3' C:DG22 4.3 49.8 1.0 ND2 A:ASN863 4.4 58.8 1.0 CB A:ASP839 4.4 54.6 1.0 CA A:ASP839 4.4 54.6 1.0 OP3 c:DT23 4.4 51.7 1.0 OD2 A:ASP839 4.5 54.6 1.0 CD A:LYS866 4.5 64.0 1.0 OP1 C:DG22 4.7 49.8 1.0 C A:ASP839 4.7 54.6 1.0 C A:HIS840 4.7 51.3 1.0 C5' C:DG22 4.7 49.8 1.0 O5' C:DG22 4.7 49.8 1.0 O5' c:DT23 4.7 51.7 1.0 CA A:HIS840 4.8 51.3 1.0 CE A:LYS866 4.8 64.0 1.0 C4' C:DG22 4.9 49.8 1.0 C2' C:DG22 4.9 49.8 1.0 OP1 c:DT23 4.9 51.7 1.0 O A:ASN863 4.9 58.8 1.0 CB A:HIS840 5.0 51.3 1.0

Magnesium binding site 4 out of 5 in the CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1404 b:45.9 occ:1.00 OG1 A:THR1102 2.7 34.5 1.0 OP2 B:A65 2.8 46.2 1.0 OP1 B:U64 3.6 40.1 1.0 CB A:THR1102 4.0 34.5 1.0 O A:THR1102 4.1 34.5 1.0 P B:A65 4.1 46.2 1.0 OE1 A:GLU57 4.1 46.2 1.0 N A:THR1102 4.2 34.5 1.0 OP1 B:A65 4.4 46.2 1.0 CA A:THR1102 4.5 34.5 1.0 C A:THR1102 4.5 34.5 1.0 CG2 A:THR1102 4.6 34.5 1.0 P B:U64 4.6 40.1 1.0 OE2 A:GLU57 4.8 46.2 1.0 OP2 B:U64 4.8 40.1 1.0 O A:VAL1100 4.8 35.0 1.0 CD A:GLU57 4.9 46.2 1.0 N4 B:C67 4.9 53.2 1.0

Magnesium binding site 5 out of 5 in the CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of CAS9:Grna in Complex with 18-20MM Dna, 1 Minute Time-Point, Kinked Active Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:42.1 occ:1.00 O6 B:G4 4.2 45.6 1.0 OP2 B:A2 4.2 78.9 1.0 O4 c:DT34 4.2 41.9 1.0 O6 c:DG35 4.5 44.0 1.0 C7 c:DT34 4.5 41.9 1.0 N4 B:C5 4.6 38.8 1.0 OP2 B:C3 4.8 51.8 1.0 O5' B:A2 4.8 78.9 1.0 P B:A2 4.9 78.9 1.0 N4 c:DC36 4.9 46.9 1.0

J.P.K.Bravo, M.S.Liu, G.N.Hibshman, T.L.Dangerfield, K.Jung, R.S.Mccool, K.A.Johnson, D.W.Taylor. Structural Basis For Mismatch Surveillance By Crispr-CAS9. Nature V. 603 343 2022.
ISSN: ESSN 1476-4687
PubMed: 35236982
DOI: 10.1038/S41586-022-04470-1