Magnesium in PDB 5ds5: Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg

The structure of Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg, PDB code: 5ds5 was solved by J.K.Nunez, L.B.Harrington, P.J.Kranzusch, A.N.Engelman, J.A.Doudna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.48 / 2.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.656, 165.928, 167.258, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 25.6

The binding sites of Magnesium atom in the Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg (pdb code 5ds5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg, PDB code: 5ds5:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:44.9 occ:1.00 ND1 B:HIS43 3.2 66.4 1.0 O E:GLU25 3.5 50.2 1.0 NE F:ARG78 3.6 63.7 1.0 OE1 E:GLU25 3.7 64.7 1.0 CG1 F:VAL89 3.7 53.2 1.0 O F:VAL89 3.8 60.0 1.0 CE1 B:HIS43 4.0 68.2 1.0 CG B:HIS43 4.1 61.0 1.0 CB E:GLU25 4.2 58.4 1.0 CD F:ARG78 4.2 59.7 1.0 CB B:HIS43 4.3 54.0 1.0 CG2 F:VAL89 4.4 53.3 1.0 C F:VAL89 4.5 55.8 1.0 C E:GLU25 4.5 50.9 1.0 CZ F:ARG78 4.6 65.8 1.0 CD E:GLU25 4.6 62.5 1.0 CG F:ARG78 4.6 59.6 1.0 NH1 F:ARG78 4.6 65.9 1.0 CB F:VAL89 4.6 52.4 1.0 N B:HIS43 4.6 48.5 1.0 CG E:GLU25 4.7 60.8 1.0 CA E:GLU25 4.9 53.1 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:30.0 occ:1.00 OD2 B:ASP221 2.3 64.4 1.0 OE2 B:GLU141 2.6 78.7 1.0 CG B:ASP221 3.4 62.8 1.0 NE2 B:HIS208 3.5 45.0 1.0 CE1 B:HIS208 3.7 45.0 1.0 CD B:GLU141 3.7 78.5 1.0 OD1 B:ASP221 4.2 63.0 1.0 CB B:ASP221 4.3 60.0 1.0 OE1 B:GLU141 4.3 80.9 1.0 NH1 B:ARG123 4.5 62.9 1.0 CD2 B:HIS208 4.8 43.6 1.0 CG B:GLU141 4.9 74.7 1.0 ND1 B:HIS208 5.0 45.9 1.0

Magnesium binding site 3 out of 5 in the Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:53.7 occ:1.00 CE1 D:HIS43 3.3 65.5 1.0 CD D:ARG41 3.8 62.3 1.0 NE2 D:HIS43 4.0 77.3 1.0 CG E:PHE91 4.1 61.3 1.0 CD2 E:PHE91 4.2 59.8 1.0 CD1 E:PHE91 4.3 61.5 1.0 ND1 D:HIS43 4.4 64.3 1.0 CB E:PHE91 4.4 57.3 1.0 NE D:ARG41 4.6 64.0 1.0 CE2 E:PHE91 4.6 64.8 1.0 CE1 E:PHE91 4.7 60.2 1.0 NH1 D:ARG41 4.7 64.2 1.0 CB D:ARG41 4.8 61.8 1.0 NH2 E:ARG78 4.8 51.6 1.0 CZ E:PHE91 4.9 61.3 1.0 CG D:ARG41 4.9 62.0 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg101 b:44.1 occ:1.00 N7 G:DG18 3.7 50.9 1.0 O4 G:DT19 3.8 52.6 1.0 O6 G:DG18 4.0 51.8 1.0 O4 H:DT4 4.3 50.2 1.0 C5 G:DG18 4.5 51.1 1.0 C6 G:DG18 4.6 51.0 1.0 N6 H:DA5 4.6 54.9 1.0 N7 G:DA17 4.7 56.3 1.0 C8 G:DG18 4.7 51.0 1.0 C7 G:DT19 4.7 54.7 1.0 C8 G:DA17 4.8 56.5 1.0 C4 G:DT19 4.9 52.1 1.0 N6 G:DA20 4.9 54.7 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure the Escherichia Coli CAS1-CAS2 Complex Bound to Protospacer Dna and Mg within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg101 b:63.6 occ:1.00 N4 G:DC4 3.7 63.6 1.0 N7 H:DG17 4.6 61.3 1.0 O4 H:DT19 4.6 54.1 1.0 N6 G:DA5 4.7 66.2 1.0 O6 H:DG18 4.7 54.2 1.0 N7 H:DG18 4.7 57.0 1.0 C4 G:DC4 4.7 63.0 1.0 C8 H:DG17 4.9 60.7 1.0 O6 H:DG20 5.0 61.7 1.0

J.K.Nunez, L.B.Harrington, P.J.Kranzusch, A.N.Engelman, J.A.Doudna. Foreign Dna Capture During Crispr-Cas Adaptive Immunity. Nature V. 527 535 2015.
ISSN: ESSN 1476-4687
PubMed: 26503043
DOI: 10.1038/NATURE15760