Manganese in PDB 2hvh: Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position)

All present enzymatic activity of Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position):
2.7.7.7;

The structure of Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position), PDB code: 2hvh was solved by J.J.Warren, L.J.Forsberg, L.S.Beese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.30 / 2.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.060, 109.390, 151.310, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 26.2

The binding sites of Manganese atom in the Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position) (pdb code 2hvh). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position), PDB code: 2hvh:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn879 b:64.0 occ:1.00 O A:TYR654 1.8 33.4 1.0 O3B A:DCT883 2.9 60.8 1.0 OD1 A:ASP653 2.9 36.6 1.0 C A:TYR654 3.0 33.3 1.0 O2B A:DCT883 3.1 60.8 1.0 OD1 A:ASP830 3.2 32.3 1.0 O2A A:DCT883 3.2 60.3 1.0 CG A:ASP830 3.4 30.8 1.0 PB A:DCT883 3.5 61.1 1.0 N A:TYR654 3.5 33.8 1.0 CG A:ASP653 3.5 36.0 1.0 CA A:TYR654 3.6 33.1 1.0 OD2 A:ASP830 3.6 32.4 1.0 O2G A:DCT883 3.7 60.2 1.0 OD2 A:ASP653 3.8 36.6 1.0 O3A A:DCT883 3.8 61.5 1.0 PG A:DCT883 3.8 59.9 1.0 CB A:TYR654 3.9 32.7 1.0 O A:ASP830 4.0 29.6 1.0 N A:SER655 4.1 33.3 1.0 CB A:ASP830 4.1 29.6 1.0 C A:ASP653 4.1 34.3 1.0 PA A:DCT883 4.1 60.6 1.0 O A:HOH155 4.2 29.3 1.0 CA A:SER655 4.4 33.4 1.0 N A:GLN656 4.5 33.5 1.0 O3G A:DCT883 4.5 60.5 1.0 O A:ASP653 4.7 34.6 1.0 CB A:ASP653 4.7 34.8 1.0 C A:ASP830 4.7 29.7 1.0 CA A:ASP653 4.8 34.7 1.0 O1B A:DCT883 4.9 61.4 1.0 C A:SER655 5.0 33.6 1.0 CG2 A:ILE657 5.0 33.5 1.0

Manganese binding site 2 out of 2 in the Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Ddctp:O6MEG Pair in the Polymerase Active Site (0 Position) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn878 b:23.1 occ:1.00 O2B D:DCT881 2.0 24.2 1.0 OD2 D:ASP830 2.1 14.5 1.0 O2A D:DCT881 2.2 21.5 1.0 O2G D:DCT881 2.2 20.5 1.0 O D:TYR654 2.3 13.8 1.0 OD1 D:ASP653 2.3 21.2 1.0 PB D:DCT881 3.2 23.2 1.0 CG D:ASP830 3.2 13.4 1.0 O D:HOH77 3.3 15.1 1.0 CG D:ASP653 3.3 18.2 1.0 PA D:DCT881 3.4 21.7 1.0 PG D:DCT881 3.4 19.5 1.0 C D:TYR654 3.4 13.6 1.0 OD2 D:ASP653 3.5 21.0 1.0 O3A D:DCT881 3.7 22.6 1.0 OD1 D:ASP830 3.7 14.2 1.0 O3B D:DCT881 3.7 22.0 1.0 C5' D:DCT881 4.1 21.8 1.0 N D:GLN656 4.2 13.2 1.0 N D:TYR654 4.2 13.9 1.0 O5' D:DCT881 4.2 22.3 1.0 CA D:TYR654 4.3 13.5 1.0 O3G D:DCT881 4.4 20.7 1.0 N D:SER655 4.4 14.0 1.0 CB D:ASP830 4.4 12.7 1.0 CA D:SER655 4.5 14.2 1.0 O1A D:DCT881 4.5 22.2 1.0 O1B D:DCT881 4.5 23.2 1.0 C D:ASP653 4.6 14.8 1.0 CG2 D:ILE657 4.6 10.4 1.0 O1G D:DCT881 4.6 17.8 1.0 CB D:TYR654 4.7 13.4 1.0 CB D:ASP653 4.7 15.8 1.0 N D:ILE657 4.7 11.8 1.0 O D:HOH72 4.7 21.4 1.0 C D:SER655 4.7 13.6 1.0 O D:ASP830 4.9 13.2 1.0 CA D:GLN656 4.9 13.3 1.0

J.J.Warren, L.J.Forsberg, L.S.Beese. The Structural Basis For the Mutagenicity of O6-Methyl-Guanine Lesions. Proc.Natl.Acad.Sci.Usa V. 103 19701 2006.
ISSN: ISSN 0027-8424
PubMed: 17179038
DOI: 10.1073/PNAS.0609580103