Bromine in PDB 1zet: X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota

The structure of X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota, PDB code: 1zet was solved by J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.43 / 2.30
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	98.831, 98.831, 202.755, 90.00, 90.00, 120.00
R / Rfree (%)	26.1 / 28.8

The structure of X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota (pdb code 1zet). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota, PDB code: 1zet:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota within 5.0Å range: probe atom residue distance (Å) B Occ T:Br9 b:52.7 occ:0.50 BR T:BRU9 0.0 52.7 0.5 C5 T:BRU9 1.6 60.1 0.5 C6 T:BRU9 2.6 42.7 0.5 C4 T:BRU9 2.6 49.2 0.5 O4 T:BRU9 3.0 46.7 0.5 C2' T:DG8 3.0 50.7 0.5 N9 T:DG8 3.4 58.5 0.5 C8 T:DG8 3.6 40.9 0.5 C1' T:DG8 3.7 41.9 0.5 OG A:SER301 3.8 62.0 1.0 C4 T:DG8 3.8 45.0 0.5 N3 T:BRU9 3.9 44.5 0.5 N1 T:BRU9 3.9 54.1 0.5 N7 T:DG8 4.0 38.0 0.5 OP2 T:BRU9 4.1 40.4 0.5 C5 T:DG8 4.1 47.0 0.5 C3' T:DG8 4.4 46.7 0.5 C2 T:BRU9 4.4 50.0 0.5 N3 T:DG8 4.5 42.5 0.5 N4 T:DC10 4.7 25.0 0.5 CB A:SER301 4.9 47.0 1.0 O5' T:BRU9 4.9 29.0 0.5 O4' T:DG8 5.0 57.8 0.5

Bromine binding site 2 out of 3 in the X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota within 5.0Å range: probe atom residue distance (Å) B Occ T:Br12 b:64.1 occ:0.50 BR T:BRU12 0.0 64.1 0.5 C5 T:BRU12 1.6 37.3 0.5 C6 T:BRU12 2.6 35.7 0.5 C4 T:BRU12 2.6 39.2 0.5 O4 T:BRU12 3.0 46.5 0.5 C6 T:DC11 3.5 37.6 0.5 N1 T:DC11 3.7 42.3 0.5 C5 T:DC11 3.7 46.4 0.5 C2' T:DC11 3.8 38.3 0.5 N3 T:BRU12 3.9 27.5 0.5 N1 T:BRU12 3.9 42.7 0.5 C2 T:DC11 4.0 36.2 0.5 C4 T:DC11 4.1 46.2 0.5 N3 T:DC11 4.2 35.6 0.5 C1' T:DC11 4.3 41.0 0.5 O4 T:BRU13 4.4 44.9 0.5 C2 T:BRU12 4.4 42.2 0.5 O2 T:DC11 4.7 37.1 0.5 BR T:BRU13 4.8 59.4 0.5 N4 T:DC11 4.8 47.3 0.5

Bromine binding site 3 out of 3 in the X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of X-Ray Data Do Not Support Hoogsteen Base-Pairing During Replication By Human Polymerase Iota within 5.0Å range: probe atom residue distance (Å) B Occ T:Br13 b:59.4 occ:0.50 BR T:BRU13 0.0 59.4 0.5 C5 T:BRU13 1.6 32.1 0.5 C6 T:BRU13 2.6 39.5 0.5 C4 T:BRU13 2.6 37.1 0.5 O4 T:BRU13 2.9 44.9 0.5 C2' T:BRU12 3.6 56.2 0.5 C6 T:BRU12 3.8 35.7 0.5 N3 T:BRU13 3.9 37.5 0.5 N1 T:BRU13 3.9 48.3 0.5 N1 T:BRU12 4.1 42.7 0.5 N4 T:DC14 4.2 34.8 0.5 C5 T:BRU12 4.2 37.3 0.5 C1' T:BRU12 4.4 47.0 0.5 C2 T:BRU13 4.4 38.8 0.5 C2 T:BRU12 4.7 42.2 0.5 O5' T:BRU13 4.7 75.3 0.5 BR T:BRU12 4.8 64.1 0.5 C3' T:BRU12 4.8 53.6 0.5 C4 T:BRU12 4.8 39.2 0.5 N3 T:BRU12 5.0 27.5 0.5

J.Wang, J.Wang. N/A N/A.
ISSN: ISSN 0028-0836
PubMed: 16163299
DOI: 10.1038/NATURE04199