Magnesium in PDB 4bwm: Klentaq Mutant in Complex with A Rna/Dna Hybrid

All present enzymatic activity of Klentaq Mutant in Complex with A Rna/Dna Hybrid:
2.7.7.7;

The structure of Klentaq Mutant in Complex with A Rna/Dna Hybrid, PDB code: 4bwm was solved by N.Blatter, K.Bergen, W.Welte, K.Diederichs, A.Marx, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.985 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	143.192, 86.282, 63.094, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.76

The structure of Klentaq Mutant in Complex with A Rna/Dna Hybrid also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Klentaq Mutant in Complex with A Rna/Dna Hybrid (pdb code 4bwm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Klentaq Mutant in Complex with A Rna/Dna Hybrid, PDB code: 4bwm:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Klentaq Mutant in Complex with A Rna/Dna Hybrid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Klentaq Mutant in Complex with A Rna/Dna Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1836 b:24.3 occ:1.00 O1G A:DCT1833 1.9 25.9 1.0 O A:HOH2426 1.9 29.0 1.0 O2A A:DCT1833 2.0 26.8 1.0 O A:HOH2425 2.1 28.7 1.0 O1B A:DCT1833 2.1 22.8 1.0 O A:HOH2423 2.1 26.9 1.0 PB A:DCT1833 3.0 24.9 1.0 PG A:DCT1833 3.1 27.4 1.0 PA A:DCT1833 3.2 27.2 1.0 O3A A:DCT1833 3.5 30.2 1.0 O3B A:DCT1833 3.5 26.6 1.0 O A:HOH2429 3.6 44.0 0.6 O3G A:DCT1833 3.7 19.9 1.0 O A:HOH2546 3.9 32.5 1.0 O1A A:DCT1833 4.0 27.8 1.0 O A:HOH2583 4.2 50.8 1.0 OD2 A:ASP785 4.2 33.5 1.0 N A:GLN613 4.3 21.4 1.0 O5' A:DCT1833 4.3 25.3 1.0 OD2 A:ASP610 4.3 37.1 1.0 O A:HOH2297 4.3 36.1 1.0 O2G A:DCT1833 4.4 35.3 1.0 O A:TYR611 4.4 33.6 1.0 O2B A:DCT1833 4.4 21.9 1.0 C5' A:DCT1833 4.5 24.7 1.0 O A:HOH2422 4.6 39.8 1.0 O A:HOH2421 4.8 26.8 1.0 CA A:GLN613 4.9 17.9 1.0 O A:HOH2582 4.9 34.2 1.0

Magnesium binding site 2 out of 3 in the Klentaq Mutant in Complex with A Rna/Dna Hybrid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Klentaq Mutant in Complex with A Rna/Dna Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1112 b:51.2 occ:1.00 OP1 B:DC111 2.2 49.5 1.0 O B:HOH2025 2.9 61.3 1.0 O B:HOH2026 3.4 50.7 1.0 C2' B:DG110 3.5 37.9 1.0 P B:DC111 3.5 66.7 1.0 C5' B:DC111 3.6 33.2 1.0 O B:HOH2020 3.8 43.8 1.0 C6 B:DC111 3.8 29.2 1.0 C3' B:DG110 3.9 40.0 1.0 O3' B:DG110 4.0 49.1 1.0 C5 B:DC111 4.1 28.0 1.0 O5' B:DC111 4.1 42.9 1.0 OP2 B:DOC112 4.2 26.6 1.0 O B:HOH2018 4.2 48.7 1.0 O B:HOH2017 4.4 50.3 1.0 C3' B:DC111 4.5 26.5 1.0 C4' B:DC111 4.6 25.0 1.0 C1' B:DG110 4.7 35.7 1.0 O4' B:DC111 4.8 24.6 1.0 OP2 B:DC111 4.8 67.9 1.0 O A:HOH2265 4.8 52.2 1.0 N1 B:DC111 4.9 23.0 1.0

Magnesium binding site 3 out of 3 in the Klentaq Mutant in Complex with A Rna/Dna Hybrid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Klentaq Mutant in Complex with A Rna/Dna Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1113 b:54.6 occ:1.00 O B:HOH2001 2.1 50.4 1.0 O B:HOH2029 2.2 55.2 1.0 O B:HOH2027 2.2 51.3 1.0 O B:HOH2006 2.2 39.1 1.0 O B:HOH2002 2.3 43.8 1.0 O B:HOH2028 2.4 65.7 1.0 O G:HOH2015 4.0 34.1 1.0 O6 B:DG108 4.1 31.8 1.0 O B:HOH2005 4.2 46.6 1.0 O6 B:DG107 4.2 36.1 1.0 N7 B:DG107 4.3 47.7 1.0 N4 G:C9 4.4 29.4 1.0 O6 G:G8 4.5 27.2 1.0 O G:HOH2012 4.6 32.9 1.0 C6 B:DG107 4.9 38.4 1.0 C5 B:DG107 4.9 44.6 1.0 O B:HOH2011 5.0 54.6 1.0

N.Blatter, K.Bergen, O.Nolte, W.Welte, K.Diederichs, J.Mayer, M.Wieland, A.Marx. Struktur Und Funktion Einer Rna-Lesenden Thermostabilen Dna-Polymerase Angew.Chem. V. 125 12154 2013.
ISSN: ISSN 1433-7851
DOI: 10.1002/ANGE.201306655