Magnesium in PDB 3rrh: Ternary Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp

All present enzymatic activity of Ternary Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp:
2.7.7.7;

The structure of Ternary Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp, PDB code: 3rrh was solved by A.Marx, K.Diederichs, S.Obeid, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.90 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.305, 108.305, 90.151, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 20.1

The binding sites of Magnesium atom in the Ternary Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp (pdb code 3rrh). 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 Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp, PDB code: 3rrh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ternary Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg833 b:39.5 occ:1.00 O2A A:TTP1 1.9 34.2 1.0 O1G A:TTP1 2.1 39.7 1.0 O1B A:TTP1 2.1 31.4 1.0 O A:HOH875 2.1 46.4 1.0 O A:HOH876 2.1 53.0 1.0 PB A:TTP1 3.1 29.0 1.0 PA A:TTP1 3.2 35.2 1.0 PG A:TTP1 3.3 37.5 1.0 O3B A:TTP1 3.5 38.2 1.0 O3A A:TTP1 3.6 28.7 1.0 O1A A:TTP1 4.1 31.7 1.0 O3G A:TTP1 4.2 32.1 1.0 C5' A:TTP1 4.2 33.4 1.0 O5' A:TTP1 4.3 33.2 1.0 O2G A:TTP1 4.3 41.2 1.0 O2B A:TTP1 4.4 26.4 1.0 O A:HOH85 4.7 26.4 1.0 OE1 A:GLU820 4.9 51.5 1.0

Magnesium binding site 2 out of 2 in the Ternary Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Structure of the Large Fragment of Taq Dna Polymerase Bound to An Abasic Site and A Ddttp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1 b:33.2 occ:1.00 O B:HOH43 2.1 24.2 1.0 O B:HOH20 2.1 14.1 1.0 O C:HOH290 2.1 34.5 1.0 O C:HOH144 2.1 26.1 1.0 O B:HOH176 2.1 26.8 1.0 O6 B:DG108 4.1 12.0 1.0 O C:HOH245 4.2 39.4 1.0 O B:HOH63 4.2 26.1 1.0 C4 B:PGE113 4.2 42.0 1.0 O C:HOH55 4.3 19.9 1.0 C3 B:PGE113 4.3 46.0 1.0 N7 B:DG107 4.4 11.5 1.0 O3 B:PGE113 4.4 40.2 1.0 O6 B:DG107 4.4 11.3 1.0 O B:HOH118 4.4 26.6 1.0 N4 C:DC209 4.5 11.6 1.0 C5 B:DC106 4.7 10.9 1.0

S.Obeid, W.Welte, K.Diederichs, A.Marx. Amino Acid Templating Mechanisms in Selection of Nucleotides Opposite Abasic Sites By A Family A Dna Polymerase. J.Biol.Chem. V. 287 14099 2012.
ISSN: ISSN 0021-9258
PubMed: 22318723
DOI: 10.1074/JBC.M111.334904