Magnesium in PDB 5xvp: E. Fae CAS1-CAS2/Prespacer/Target Ternary Complex Revealing the Fully Integrated States

The structure of E. Fae CAS1-CAS2/Prespacer/Target Ternary Complex Revealing the Fully Integrated States, PDB code: 5xvp was solved by Y.Xiao, S.Ng, K.H.Nam, A.Ke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.03 / 3.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.870, 212.294, 512.199, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.3

The binding sites of Magnesium atom in the E. Fae CAS1-CAS2/Prespacer/Target Ternary Complex Revealing the Fully Integrated States (pdb code 5xvp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the E. Fae CAS1-CAS2/Prespacer/Target Ternary Complex Revealing the Fully Integrated States, PDB code: 5xvp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the E. Fae CAS1-CAS2/Prespacer/Target Ternary Complex Revealing the Fully Integrated States


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E. Fae CAS1-CAS2/Prespacer/Target Ternary Complex Revealing the Fully Integrated States within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg201 b:56.2 occ:1.00 OP1 H:DC15 1.9 34.7 1.0 OG E:SER43 2.3 32.3 1.0 OD1 E:ASP13 2.5 32.8 1.0 O E:PHE12 2.7 43.8 1.0 CB E:SER43 2.9 30.6 1.0 P H:DC15 3.3 43.2 1.0 NE2 F:GLN41 3.6 47.3 1.0 CG E:ASP13 3.6 40.4 1.0 O F:PHE42 3.7 69.9 1.0 O5' H:DC15 3.8 37.2 1.0 C5' H:DC15 3.8 34.9 1.0 C E:PHE12 3.9 42.1 1.0 O3' H:DC14 4.1 52.9 1.0 CB F:PHE42 4.2 53.1 1.0 O E:SER43 4.2 30.9 1.0 CA E:SER43 4.3 34.1 1.0 OD2 E:ASP13 4.3 39.4 1.0 CA E:ASP13 4.4 42.6 1.0 O E:PHE42 4.5 28.8 1.0 N F:PHE42 4.5 35.8 1.0 OP2 H:DC15 4.5 39.5 1.0 N E:ASP13 4.6 42.1 1.0 C F:PHE42 4.6 51.6 1.0 CB E:ASP13 4.6 42.5 1.0 C E:SER43 4.7 37.3 1.0 CB F:GLN41 4.7 49.3 1.0 CA F:PHE42 4.7 49.2 1.0 CD F:GLN41 4.7 54.1 1.0 CG F:PHE42 4.9 61.9 1.0

Magnesium binding site 2 out of 2 in the E. Fae CAS1-CAS2/Prespacer/Target Ternary Complex Revealing the Fully Integrated States


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E. Fae CAS1-CAS2/Prespacer/Target Ternary Complex Revealing the Fully Integrated States within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg201 b:32.4 occ:1.00 OG F:SER43 1.8 29.2 1.0 OP1 G:DC15 1.9 58.4 1.0 O F:PHE12 2.1 22.0 1.0 OD1 F:ASP13 2.3 23.5 1.0 CB F:SER43 2.7 33.6 1.0 P G:DC15 3.2 32.7 1.0 OE1 E:GLN41 3.2 17.5 1.0 C F:PHE12 3.2 27.7 1.0 CG F:ASP13 3.6 22.9 1.0 O F:SER43 3.8 41.5 1.0 OP2 G:DC15 3.8 22.3 1.0 O5' G:DC15 3.9 26.2 1.0 CA F:ASP13 3.9 29.3 1.0 N F:ASP13 4.0 35.0 1.0 C5' G:DC15 4.1 26.9 1.0 CA F:SER43 4.1 32.5 1.0 CD E:GLN41 4.2 30.2 1.0 O3' G:DC14 4.3 40.3 1.0 CA F:PHE12 4.3 28.6 1.0 CB F:ASP13 4.4 29.1 1.0 C F:SER43 4.4 38.3 1.0 N F:PHE12 4.4 25.8 1.0 O E:PHE42 4.4 28.8 1.0 OD2 F:ASP13 4.5 21.7 1.0 CB E:GLN41 4.6 23.4 1.0 O F:PHE42 4.7 69.9 1.0 CB E:PHE42 4.7 33.7 1.0 N E:PHE42 4.8 30.9 1.0 CG E:GLN41 4.9 28.0 1.0

Y.Xiao, S.Ng, K.Hyun Nam, A.Ke. How Type II Crispr-Cas Establish Immunity Through CAS1-CAS2-Mediated Spacer Integration. Nature V. 550 137 2017.
ISSN: ESSN 1476-4687
PubMed: 28869593
DOI: 10.1038/NATURE24020