Magnesium in PDB 5oxj: Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair

All present enzymatic activity of Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair:
2.7.7.7;

The structure of Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair, PDB code: 5oxj was solved by K.Betz, K.Diederichs, A.Marx, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.35 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.347, 109.347, 90.636, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 25.7

The structure of Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair (pdb code 5oxj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair, PDB code: 5oxj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair


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 Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg906 b:52.0 occ:1.00 OE1 A:GLU462 2.3 90.6 1.0 CD A:GLU462 2.8 80.3 1.0 O A:HOH1001 2.9 56.2 1.0 CG A:GLU462 3.2 69.4 1.0 OE2 A:GLU462 3.7 78.1 1.0 NH1 A:ARG593 3.7 75.9 1.0 CB A:GLU462 4.7 54.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Klentaq Mutant M747K in A Closed Ternary Complex with A O6-Meg:Benzitp Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:50.7 occ:1.00 O B:HOH309 2.1 49.9 1.0 O C:HOH415 2.1 63.9 1.0 O B:HOH305 2.1 44.8 1.0 O B:HOH306 2.2 49.5 1.0 O B:HOH311 2.5 58.1 1.0 O C:HOH411 4.2 46.8 1.0 O B:HOH303 4.3 50.1 1.0 O6 B:DG108 4.4 56.8 1.0 N7 B:DG107 4.5 43.2 1.0 O6 B:DG107 4.6 37.7 1.0 C5 B:DC106 4.6 33.5 1.0 O B:HOH307 4.8 48.2 1.0 C6 B:DC106 4.9 43.1 1.0 N4 C:DC209 4.9 45.9 1.0

K.Betz, A.Nilforoushan, L.A.Wyss, K.Diederichs, S.J.Sturla, A.Marx. Structural Basis For the Selective Incorporation of An Artificial Nucleotide Opposite A Dna Adduct By A Dna Polymerase. Chem. Commun. (Camb.) V. 53 12704 2017.
ISSN: ESSN 1364-548X
PubMed: 29136072
DOI: 10.1039/C7CC07173F