Magnesium in PDB 8umf: Structure of PSCAS9 in Complex with Grna and Dna in Product State

The binding sites of Magnesium atom in the Structure of PSCAS9 in Complex with Grna and Dna in Product State (pdb code 8umf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Structure of PSCAS9 in Complex with Grna and Dna in Product State, PDB code: 8umf:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the Structure of PSCAS9 in Complex with Grna and Dna in Product State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of PSCAS9 in Complex with Grna and Dna in Product State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:41.1 occ:1.00 OP2 C:DC43 2.1 42.3 1.0 OD1 A:ASP10 2.4 34.8 1.0 OE1 A:GLU690 2.6 43.5 1.0 CD A:GLU690 3.1 43.5 1.0 OE2 A:GLU690 3.3 43.5 1.0 CG A:ASP10 3.4 34.8 1.0 P C:DC43 3.6 42.3 1.0 OD2 A:ASP10 3.8 34.8 1.0 ND2 A:ASN692 4.0 41.3 1.0 CG A:GLU690 4.1 43.5 1.0 OD1 A:ASN692 4.1 41.3 1.0 O A:MET11 4.2 35.4 1.0 O5' C:DC43 4.2 42.3 1.0 C5' C:DC43 4.4 42.3 1.0 CB A:GLU690 4.5 43.5 1.0 CG A:ASN692 4.5 41.3 1.0 OP1 C:DC43 4.5 42.3 1.0 CB A:ASP10 4.6 34.8 1.0 CA A:ASP10 4.7 34.8 1.0 MG A:MG1502 4.8 34.8 1.0 N A:MET11 4.9 35.4 1.0 C A:ASP10 5.0 34.8 1.0

Magnesium binding site 2 out of 7 in the Structure of PSCAS9 in Complex with Grna and Dna in Product State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of PSCAS9 in Complex with Grna and Dna in Product State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1502 b:34.8 occ:1.00 OD2 A:ASP10 2.1 34.8 1.0 OP1 C:DC43 2.1 42.3 1.0 ND1 A:HIS944 2.3 39.0 1.0 CE1 A:HIS944 3.1 39.0 1.0 P C:DC43 3.3 42.3 1.0 CG A:ASP10 3.3 34.8 1.0 CG A:HIS944 3.3 39.0 1.0 O A:TYR15 3.5 38.9 1.0 OP2 C:DC43 3.5 42.3 1.0 CB A:HIS944 3.7 39.0 1.0 OD1 A:ASP10 4.0 34.8 1.0 OP2 C:DT44 4.1 46.1 1.0 O A:MET11 4.2 35.4 1.0 OE1 A:GLN939 4.2 44.3 1.0 CA A:HIS944 4.2 39.0 1.0 O5' C:DC43 4.2 42.3 1.0 C5' C:DC43 4.2 42.3 1.0 NE2 A:HIS944 4.3 39.0 1.0 O A:ASP10 4.3 34.8 1.0 CB A:ASP10 4.4 34.8 1.0 CD2 A:HIS944 4.4 39.0 1.0 C A:TYR15 4.6 38.9 1.0 CA A:GLY12 4.7 35.8 1.0 OD2 A:ASP947 4.7 43.0 1.0 C A:MET11 4.8 35.4 1.0 C A:ASP10 4.8 34.8 1.0 MG A:MG1501 4.8 41.1 1.0 N A:GLY17 4.9 31.4 1.0

Magnesium binding site 3 out of 7 in the Structure of PSCAS9 in Complex with Grna and Dna in Product State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of PSCAS9 in Complex with Grna and Dna in Product State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1503 b:34.7 occ:1.00 OD1 A:ASP756 2.1 33.4 1.0 OP2 D:DT34 2.2 31.4 1.0 OD1 A:ASN786 2.2 37.8 1.0 O3' E:DC35 2.3 34.0 1.0 CG A:ASP756 3.3 33.4 1.0 CG A:ASN786 3.4 37.8 1.0 P D:DT34 3.5 31.4 1.0 C3' E:DC35 3.6 34.0 1.0 O A:LYS789 3.7 42.4 1.0 O A:ASN786 3.8 37.8 1.0 O5' D:DT34 3.9 31.4 1.0 CB A:ASP756 4.1 33.4 1.0 ND2 A:ASN786 4.1 37.8 1.0 OD2 A:ASP756 4.2 33.4 1.0 C4' E:DC35 4.2 34.0 1.0 O A:HIS757 4.2 29.5 1.0 CD A:LYS789 4.4 42.4 1.0 CA A:ASP756 4.4 33.4 1.0 C5' E:DC35 4.4 34.0 1.0 NZ A:LYS789 4.4 42.4 1.0 N A:HIS757 4.5 29.5 1.0 CA A:ASN786 4.5 37.8 1.0 CG A:LYS789 4.5 42.4 1.0 CB A:ASN786 4.6 37.8 1.0 C A:ASN786 4.6 37.8 1.0 CB A:LYS789 4.7 42.4 1.0 C2' E:DC35 4.7 34.0 1.0 OP1 D:DT34 4.7 31.4 1.0 C A:LYS789 4.8 42.4 1.0 C A:ASP756 4.9 33.4 1.0

Magnesium binding site 4 out of 7 in the Structure of PSCAS9 in Complex with Grna and Dna in Product State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of PSCAS9 in Complex with Grna and Dna in Product State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:15.6 occ:1.00 O4 B:U69 3.6 28.9 1.0 C4 B:U69 4.4 28.9 1.0 O6 B:G70 4.5 28.6 1.0 O4 B:U26 4.6 40.0 1.0 C5 B:U69 4.6 28.9 1.0

Magnesium binding site 5 out of 7 in the Structure of PSCAS9 in Complex with Grna and Dna in Product State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of PSCAS9 in Complex with Grna and Dna in Product State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:20.3 occ:1.00 OP1 B:A114 3.7 29.3 1.0 OP2 B:A114 4.0 29.3 1.0 OP2 B:C97 4.1 27.7 1.0 O5' B:A114 4.1 29.3 1.0 P B:A114 4.1 29.3 1.0 OP2 B:U115 4.2 28.3 1.0 O6 B:G99 4.2 30.2 1.0 N7 B:G98 4.4 28.8 1.0 O6 B:G98 4.4 28.8 1.0 C5 B:C97 4.5 27.7 1.0 NH2 A:ARG279 4.5 22.2 1.0 N4 B:C116 4.8 27.5 1.0 C5' B:A114 4.8 29.3 1.0 N4 B:C97 4.9 27.7 1.0 C4 B:C97 4.9 27.7 1.0

Magnesium binding site 6 out of 7 in the Structure of PSCAS9 in Complex with Grna and Dna in Product State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of PSCAS9 in Complex with Grna and Dna in Product State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:33.6 occ:1.00 O6 B:G105 3.6 31.9 1.0 N7 B:G105 4.2 31.9 1.0 O4 B:U104 4.2 27.3 1.0 C6 B:G105 4.4 31.9 1.0 C4 B:U104 4.5 27.3 1.0 C5 B:G105 4.7 31.9 1.0 N6 B:A106 4.7 37.0 1.0 C5 B:U104 4.9 27.3 1.0

Magnesium binding site 7 out of 7 in the Structure of PSCAS9 in Complex with Grna and Dna in Product State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structure of PSCAS9 in Complex with Grna and Dna in Product State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg204 b:23.1 occ:1.00 OP2 B:A94 3.7 32.6 1.0 OP2 B:C95 3.8 31.4 1.0 NH2 A:ARG329 4.0 25.7 1.0 OP2 B:C116 4.1 27.5 1.0 O5' B:A94 4.3 32.6 1.0 P B:A94 4.3 32.6 1.0 CZ A:ARG329 4.3 25.7 1.0 C4' B:U115 4.3 28.3 1.0 OP1 B:C116 4.4 27.5 1.0 NE A:ARG329 4.5 25.7 1.0 OP1 B:A94 4.5 32.6 1.0 C5 B:C95 4.5 31.4 1.0 P B:C116 4.5 27.5 1.0 O3' B:U115 4.5 28.3 1.0 C5' B:U115 4.8 28.3 1.0 C3' B:U115 5.0 28.3 1.0 NH1 A:ARG329 5.0 25.7 1.0

J.P.K.Bravo, D.W.Taylor. Structure-Guided Engineering of PSCAS9 Yields A High Fidelity and Activity Enzyme For in Vivo Gene Editing To Be Published.