Magnesium in PDB 2aq4: Ternary Complex of the Catalytic Core of REV1 with Dna and Dctp.

The structure of Ternary Complex of the Catalytic Core of REV1 with Dna and Dctp., PDB code: 2aq4 was solved by D.T.Nair, R.E.Johnson, L.Prakash, S.Prakash, A.K.Aggarwal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.32
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	177.320, 200.906, 55.586, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.8

The binding sites of Magnesium atom in the Ternary Complex of the Catalytic Core of REV1 with Dna and Dctp. (pdb code 2aq4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ternary Complex of the Catalytic Core of REV1 with Dna and Dctp., PDB code: 2aq4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ternary Complex of the Catalytic Core of REV1 with Dna and Dctp.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Complex of the Catalytic Core of REV1 with Dna and Dctp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:41.9 occ:1.00 OD2 A:ASP467 2.5 23.0 1.0 OE2 A:GLU468 2.5 38.8 1.0 OD2 A:ASP362 2.7 39.8 1.0 O1A A:DCP201 2.7 24.1 1.0 OD1 A:ASP467 3.2 27.7 1.0 CG A:ASP467 3.2 24.4 1.0 C3' P:DOC12 3.5 58.2 1.0 CB A:GLU468 3.6 25.4 1.0 CD A:GLU468 3.6 37.9 1.0 MG A:MG302 3.6 16.3 1.0 CG A:ASP362 3.7 30.4 1.0 C5' A:DCP201 3.7 23.0 1.0 PA A:DCP201 3.8 21.9 1.0 O5' A:DCP201 4.0 22.6 1.0 OD1 A:ASP362 4.2 37.7 1.0 CG A:GLU468 4.2 27.0 1.0 O A:HOH20 4.3 43.1 1.0 O2A A:DCP201 4.3 24.2 1.0 O A:ASP467 4.4 27.8 1.0 OG A:SER465 4.4 33.9 1.0 OE1 A:GLU468 4.5 36.0 1.0 C A:ASP467 4.5 25.4 1.0 C4' P:DOC12 4.6 57.3 1.0 CB A:SER465 4.6 25.8 1.0 C2' P:DOC12 4.6 59.2 1.0 CB A:ASP467 4.7 25.0 1.0 CA A:GLU468 4.8 27.1 1.0 N A:GLU468 4.8 24.1 1.0 CB A:ASP362 4.9 25.8 1.0 O2B A:DCP201 4.9 20.9 1.0

Magnesium binding site 2 out of 2 in the Ternary Complex of the Catalytic Core of REV1 with Dna and Dctp.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Complex of the Catalytic Core of REV1 with Dna and Dctp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:16.3 occ:1.00 OD1 A:ASP362 2.1 37.7 1.0 O2B A:DCP201 2.2 20.9 1.0 O3G A:DCP201 2.3 21.5 1.0 O1A A:DCP201 2.3 24.1 1.0 O A:PHE363 2.3 26.2 1.0 OD1 A:ASP467 2.5 27.7 1.0 CG A:ASP362 3.0 30.4 1.0 OD2 A:ASP362 3.0 39.8 1.0 PB A:DCP201 3.3 18.9 1.0 O A:HOH20 3.4 43.1 1.0 PG A:DCP201 3.5 22.6 1.0 C A:PHE363 3.5 24.6 1.0 PA A:DCP201 3.6 21.9 1.0 MG A:MG301 3.6 41.9 1.0 CG A:ASP467 3.7 24.4 1.0 O3A A:DCP201 3.7 21.9 1.0 O3B A:DCP201 3.8 25.0 1.0 NZ A:LYS525 3.9 32.7 1.0 N A:PHE363 4.1 25.6 1.0 O2G A:DCP201 4.1 26.1 1.0 C5' A:DCP201 4.1 23.0 1.0 OD2 A:ASP467 4.1 23.0 1.0 CA A:PHE363 4.3 25.5 1.0 O5' A:DCP201 4.4 22.6 1.0 CB A:ASP362 4.4 25.8 1.0 C A:ASP362 4.5 26.0 1.0 CE A:LYS525 4.5 39.0 1.0 CB A:PHE363 4.6 25.6 1.0 N A:ASP364 4.6 24.8 1.0 N A:CYS365 4.6 24.8 1.0 N A:PHE366 4.6 21.5 1.0 CB A:PHE366 4.6 17.2 1.0 O1B A:DCP201 4.6 21.2 1.0 CA A:ASP364 4.6 26.1 1.0 C A:ASP364 4.7 24.7 1.0 O2A A:DCP201 4.8 24.2 1.0 O1G A:DCP201 4.8 24.9 1.0 CB A:ASP467 4.9 25.0 1.0 CA A:ASP362 4.9 26.7 1.0 O A:ASP467 4.9 27.8 1.0

D.T.Nair, R.E.Johnson, L.Prakash, S.Prakash, A.K.Aggarwal. REV1 Employs A Novel Mechanism of Dna Synthesis Using A Protein Template. Science V. 309 2219 2005.
ISSN: ISSN 0036-8075
PubMed: 16195463
DOI: 10.1126/SCIENCE.1116336