Bromine in PDB 3h4b: Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp

All present enzymatic activity of Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp:
2.7.7.7;

The structure of Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp, PDB code: 3h4b was solved by R.Jain, 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)	39.73 / 2.85
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.998, 97.998, 203.670, 90.00, 90.00, 120.00
R / Rfree (%)	24 / 28.1

The structure of Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp (pdb code 3h4b). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp, PDB code: 3h4b:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp within 5.0Å range: probe atom residue distance (Å) B Occ T:Br840 b:0.8 occ:0.90 BR T:BRU840 0.0 0.8 0.9 C5 T:BRU840 1.9 43.8 0.9 C6 T:BRU840 2.8 45.9 0.9 C4 T:BRU840 2.9 43.3 0.9 O4 T:BRU840 3.1 43.2 0.9 C2' T:DT839 3.3 74.5 1.0 O2 T:BRU840 3.4 55.0 0.1 C3' T:DT839 3.7 72.1 1.0 O T:HOH170 3.8 32.6 1.0 C6 T:DT839 4.0 78.5 1.0 N1 T:BRU840 4.1 45.7 0.9 N3 T:BRU840 4.1 42.9 0.9 C2 T:BRU840 4.2 54.9 0.1 N3 T:BRU840 4.2 55.0 0.1 O T:HOH169 4.3 54.9 1.0 O5' T:DT839 4.4 75.5 1.0 C1' T:DT839 4.6 76.4 1.0 C7 T:DT839 4.6 79.7 1.0 O3' T:DT839 4.6 67.0 1.0 C2 T:BRU840 4.7 44.3 0.9 C5 T:DT839 4.7 79.1 1.0 N1 T:DT839 4.7 77.8 1.0 C4' T:DT839 4.8 74.4 1.0 C5' T:DT839 4.8 75.0 1.0 N7 T:DG841 4.8 28.4 1.0

Bromine binding site 2 out of 2 in the Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Datp within 5.0Å range: probe atom residue distance (Å) B Occ T:Br840 b:72.1 occ:0.10 BR T:BRU840 0.0 72.1 0.1 N6 A:DTP875 1.8 62.4 0.9 C5 T:BRU840 1.9 55.1 0.1 C6 T:BRU840 2.8 55.0 0.1 O2 T:BRU840 2.9 44.7 0.9 C4 T:BRU840 2.9 55.0 0.1 C6 A:DTP875 3.1 63.4 0.9 O A:HOH530 3.1 58.6 1.0 O4 T:BRU840 3.2 54.9 0.1 C2 T:DG841 3.3 27.4 1.0 N2 T:DG841 3.4 25.8 1.0 N1 T:DG841 3.5 26.9 1.0 N3 T:DG841 3.7 28.8 1.0 N1 A:DTP875 3.7 63.3 0.9 C2 T:BRU840 3.8 44.3 0.9 N1 T:BRU840 4.1 54.9 0.1 N3 T:BRU840 4.1 55.0 0.1 OE1 A:GLN59 4.2 48.5 1.0 N3 T:BRU840 4.2 42.9 0.9 C6 T:DG841 4.2 28.4 1.0 C5 A:DTP875 4.2 64.8 0.9 C4 T:DG841 4.2 29.4 1.0 C5 T:DG841 4.5 27.5 1.0 CG1 A:VAL64 4.5 36.2 1.0 N7 A:DTP875 4.7 65.7 0.9 O2 P:DOC873 4.7 35.6 1.0 CB A:VAL64 4.7 37.8 1.0 C2 T:BRU840 4.7 54.9 0.1 O6 T:DG841 4.9 30.1 1.0 N3 P:DOC873 4.9 36.8 1.0

R.Jain, D.T.Nair, R.E.Johnson, L.Prakash, S.Prakash, A.K.Aggarwal. Replication Across Template T/U By Human Dna Polymerase-Iota. Structure V. 17 974 2009.
ISSN: ISSN 0969-2126
PubMed: 19604477
DOI: 10.1016/J.STR.2009.04.011