Bromine in PDB 3h4d: Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Dgtp

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

The structure of Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Dgtp, PDB code: 3h4d 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)	36.68 / 2.20
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.915, 97.915, 203.392, 90.00, 90.00, 120.00
R / Rfree (%)	25.4 / 27

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

Magnesium

(Mg)

2 atoms

The binding sites of Bromine atom in the Ternary Complex of Human Dna Polymerase Iota with Template U/T and Incoming Dgtp (pdb code 3h4d). 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 Dgtp, PDB code: 3h4d:
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 Dgtp


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 Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ T:Br840 b:98.1 occ:0.70 BR T:BRU840 0.0 98.1 0.7 C5 T:BRU840 1.9 58.2 0.7 C6 T:BRU840 2.8 58.5 0.7 C4 T:BRU840 2.9 58.2 0.7 O2 T:BRU840 3.1 54.1 0.3 O4 T:BRU840 3.2 56.9 0.7 C2' T:DT839 3.4 79.5 1.0 N3 T:BRU840 3.5 53.5 0.3 C3' T:DT839 3.7 77.5 1.0 C2 T:BRU840 3.7 53.8 0.3 O5' T:DT839 4.1 82.0 1.0 N3 T:BRU840 4.2 58.0 0.7 N1 T:BRU840 4.2 58.1 0.7 C6 T:DT839 4.2 83.1 1.0 N7 T:DG841 4.5 26.8 1.0 O3' T:DT839 4.6 73.4 1.0 C5' T:DT839 4.7 81.0 1.0 C4' T:DT839 4.7 79.8 1.0 O6 T:DG841 4.7 31.8 1.0 C1' T:DT839 4.7 81.0 1.0 C2 T:BRU840 4.7 58.5 0.7 C4 T:BRU840 4.8 53.3 0.3 N1 T:DT839 4.9 82.3 1.0 C7 T:DT839 5.0 84.9 1.0 C5 T:DT839 5.0 84.0 1.0

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


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 Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ T:Br840 b:80.1 occ:0.30 BR T:BRU840 0.0 80.1 0.3 C2 T:DGT875 0.6 50.1 0.7 N1 T:DGT875 1.2 49.8 0.7 N3 T:DGT875 1.5 49.5 0.7 N2 T:DGT875 1.8 50.1 0.7 C5 T:BRU840 1.9 53.0 0.3 C4 T:DGT875 2.1 49.7 0.7 C6 T:DGT875 2.2 50.0 0.7 C5 T:DGT875 2.5 49.8 0.7 C6 T:BRU840 2.9 53.7 0.3 C4 T:BRU840 2.9 53.3 0.3 O4 T:BRU840 3.2 52.8 0.3 O2 T:BRU840 3.2 59.5 0.7 O6 T:DGT875 3.3 49.0 0.7 N9 T:DGT875 3.4 49.7 0.7 N3 T:BRU840 3.6 58.0 0.7 C2 T:BRU840 3.8 58.5 0.7 CG1 A:VAL64 3.8 35.2 1.0 N7 T:DGT875 3.8 51.1 0.7 CB A:VAL64 4.0 36.2 1.0 N1 T:DG841 4.0 27.0 1.0 CD2 A:LEU78 4.1 71.1 1.0 C2 T:DG841 4.1 24.7 1.0 C8 T:DGT875 4.2 49.6 0.7 N3 T:BRU840 4.2 53.5 0.3 N1 T:BRU840 4.2 54.1 0.3 C1' T:DGT875 4.2 48.8 0.7 O T:HOH19 4.3 25.8 1.0 N2 T:DG841 4.4 24.3 1.0 C6 T:DG841 4.4 28.7 1.0 OE1 A:GLN59 4.5 31.8 1.0 N3 T:DG841 4.5 24.1 1.0 C5 T:DG841 4.8 26.8 1.0 C2 T:BRU840 4.8 53.8 0.3 C4 T:DG841 4.8 26.5 1.0 C2' T:DGT875 4.8 47.0 0.7 C4 T:BRU840 4.8 58.2 0.7 O6 T:DG841 4.9 31.8 1.0 CG A:LEU78 5.0 71.0 1.0 CA A:VAL64 5.0 37.1 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