Magnesium in PDB 6ltr: Crystal Structure of CAS12I2 Ternary Complex with Single MG2+ Bound in Catalytic Pocket

The structure of Crystal Structure of CAS12I2 Ternary Complex with Single MG2+ Bound in Catalytic Pocket, PDB code: 6ltr was solved by X.Huang, W.Sun, Z.Cheng, M.Chen, X.Li, J.Wang, G.Sheng, W.Gong, Y.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.74 / 2.51
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	93.256, 123.025, 280.420, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 22.6

The binding sites of Magnesium atom in the Crystal Structure of CAS12I2 Ternary Complex with Single MG2+ Bound in Catalytic Pocket (pdb code 6ltr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of CAS12I2 Ternary Complex with Single MG2+ Bound in Catalytic Pocket, PDB code: 6ltr:

Magnesium binding site 1 out of 1 in the Crystal Structure of CAS12I2 Ternary Complex with Single MG2+ Bound in Catalytic Pocket


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of CAS12I2 Ternary Complex with Single MG2+ Bound in Catalytic Pocket within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:15.6 occ:1.00 O A:HOH1258 2.1 26.6 1.0 OD1 A:ASN601 2.2 28.3 1.0 OP1 E:DC24 2.2 31.7 1.0 O A:HOH1349 2.3 25.7 1.0 OD2 A:ASP599 2.3 25.6 1.0 OD1 A:ASP1019 2.3 29.3 1.0 CG A:ASP599 3.1 26.4 1.0 CG A:ASN601 3.2 28.4 1.0 OD1 A:ASP599 3.2 27.2 1.0 CG A:ASP1019 3.4 34.6 1.0 P E:DC24 3.6 33.5 1.0 ND2 A:ASN601 3.7 24.2 1.0 NH1 A:ARG991 4.1 35.9 1.0 CB A:ASP1019 4.1 23.1 1.0 O A:GLN600 4.1 26.5 1.0 OD2 A:ASP1019 4.2 26.4 1.0 OP2 E:DC24 4.3 28.8 1.0 O5' E:DC24 4.4 34.0 1.0 CA A:ASP1019 4.4 25.1 1.0 CB A:ASN601 4.5 28.3 1.0 OG A:SER883 4.5 31.8 1.0 O3' E:DC23 4.5 30.1 1.0 C5' E:DC24 4.5 28.2 1.0 CB A:ALA1022 4.5 17.6 1.0 CB A:ASP599 4.6 21.5 1.0 NH1 A:ARG900 4.6 26.0 1.0 OP2 E:DC25 4.6 38.0 1.0 NH2 A:ARG900 4.7 32.3 1.0 C A:GLN600 4.8 26.8 1.0 O A:HOH1228 4.8 35.2 1.0 O A:HOH1316 4.9 29.0 1.0 O A:HOH1323 4.9 27.1 1.0 CA A:ASN601 5.0 29.6 1.0

X.Huang, W.Sun, Z.Cheng, M.Chen, X.Li, J.Wang, G.Sheng, W.Gong, Y.Wang. Structural Basis For Two Metal-Ion Catalysis of Dna Cleavage By CAS12I2. Nat Commun V. 11 5241 2020.
ISSN: ESSN 2041-1723
PubMed: 33067443
DOI: 10.1038/S41467-020-19072-6