Bromine in PDB 2b63: Complete Rna Polymerase II-Rna Inhibitor Complex

All present enzymatic activity of Complete Rna Polymerase II-Rna Inhibitor Complex:
2.7.7.6;

The structure of Complete Rna Polymerase II-Rna Inhibitor Complex, PDB code: 2b63 was solved by H.Kettenberger, A.Eisenfuehr, F.Brueckner, M.Theis, M.Famulok, P.Cramer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	224.585, 399.815, 286.727, 90.00, 90.00, 90.00
R / Rfree (%)	25.2 / 27.3

The structure of Complete Rna Polymerase II-Rna Inhibitor Complex also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Zinc	(Zn)	8 atoms

The binding sites of Bromine atom in the Complete Rna Polymerase II-Rna Inhibitor Complex (pdb code 2b63). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Complete Rna Polymerase II-Rna Inhibitor Complex, PDB code: 2b63:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Complete Rna Polymerase II-Rna Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Complete Rna Polymerase II-Rna Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ R:Br12 b:0.3 occ:1.00 BR R:5BU12 0.0 0.3 1.0 C5 R:5BU12 2.0 0.6 1.0 C4 R:5BU12 3.0 0.6 1.0 C6 R:5BU12 3.0 0.3 1.0 O4 R:5BU12 3.2 0.9 1.0 O2' R:A10 4.0 1.0 1.0 OP2 R:U11 4.1 0.7 1.0 C2' R:A10 4.2 0.1 1.0 N3 R:5BU12 4.2 0.9 1.0 N1 R:5BU12 4.3 0.2 1.0 C2 R:5BU12 4.8 0.6 1.0 OE2 B:GLU1120 4.9 99.4 1.0 C5' R:U11 4.9 0.0 1.0 O3' R:A10 5.0 0.2 1.0

Bromine binding site 2 out of 4 in the Complete Rna Polymerase II-Rna Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Complete Rna Polymerase II-Rna Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ R:Br17 b:0.3 occ:1.00 BR R:5BU17 0.0 0.3 1.0 C5 R:5BU17 1.9 0.6 1.0 C6 R:5BU17 2.8 0.0 1.0 C4 R:5BU17 2.9 0.3 1.0 C4 R:G16 3.1 95.6 1.0 O4 R:5BU17 3.2 0.8 1.0 C5 R:G16 3.2 96.8 1.0 N9 R:G16 3.2 94.3 1.0 C8 R:G16 3.3 96.0 1.0 N7 R:G16 3.4 96.9 1.0 N3 R:G16 3.7 95.6 1.0 C3' R:G16 3.8 90.8 1.0 C2' R:G16 3.8 91.0 1.0 C6 R:G16 3.9 97.0 1.0 C1' R:G16 4.0 91.9 1.0 N1 R:5BU17 4.1 0.3 1.0 N3 R:5BU17 4.1 0.8 1.0 C2 R:G16 4.2 96.2 1.0 N1 R:G16 4.3 96.2 1.0 O5' R:5BU17 4.4 90.9 1.0 O5' R:G16 4.4 88.2 1.0 OP2 R:5BU17 4.6 88.8 1.0 O4' R:G16 4.7 91.2 1.0 O6 R:G16 4.7 98.0 1.0 C2 R:5BU17 4.7 0.9 1.0 C4' R:G16 4.7 90.5 1.0 O3' R:G16 4.8 90.5 1.0 O4' R:5BU17 4.9 0.8 1.0 P R:5BU17 4.9 90.2 1.0

Bromine binding site 3 out of 4 in the Complete Rna Polymerase II-Rna Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Complete Rna Polymerase II-Rna Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ R:Br27 b:0.2 occ:1.00 BR R:5BU27 0.0 0.2 1.0 C5 R:5BU27 1.9 0.4 1.0 C6 R:5BU27 2.8 0.1 1.0 C4 R:5BU27 3.0 0.3 1.0 O4 R:5BU27 3.3 0.2 1.0 BR R:5BU28 3.3 0.2 1.0 C2 R:C26 3.8 0.4 1.0 N1 R:C26 3.8 0.3 1.0 N3 R:C26 3.8 0.7 1.0 C4 R:C26 3.8 0.7 1.0 C6 R:C26 3.8 0.7 1.0 C5 R:C26 3.8 0.6 1.0 C3' R:C26 3.8 0.9 1.0 C2' R:C26 4.0 0.8 1.0 O5' R:5BU27 4.0 0.9 1.0 N1 R:5BU27 4.1 0.3 1.0 N3 R:5BU27 4.2 0.4 1.0 C5 R:5BU28 4.2 0.4 1.0 O2 R:C26 4.4 0.8 1.0 O3' R:C26 4.4 0.9 1.0 N4 R:C26 4.5 0.0 1.0 O4 R:5BU28 4.5 0.4 1.0 C1' R:C26 4.5 0.5 1.0 C4 R:5BU28 4.6 1.0 1.0 C5' R:5BU27 4.6 0.8 1.0 C2 R:5BU27 4.8 0.2 1.0 O4' R:5BU27 4.9 0.2 1.0 P R:5BU27 5.0 0.1 1.0

Bromine binding site 4 out of 4 in the Complete Rna Polymerase II-Rna Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Complete Rna Polymerase II-Rna Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ R:Br28 b:0.2 occ:1.00 BR R:5BU28 0.0 0.2 1.0 C5 R:5BU28 2.1 0.4 1.0 C4 R:5BU28 3.0 1.0 1.0 C6 R:5BU28 3.1 0.3 1.0 O4 R:5BU28 3.3 0.4 1.0 BR R:5BU27 3.3 0.2 1.0 C5 R:5BU27 3.6 0.4 1.0 C6 R:5BU27 4.0 0.1 1.0 C4 R:5BU27 4.3 0.3 1.0 N3 R:5BU28 4.3 0.9 1.0 N1 R:5BU28 4.4 0.4 1.0 C5' R:5BU27 4.4 0.8 1.0 O4 R:5BU27 4.6 0.2 1.0 N1 R:5BU27 4.8 0.3 1.0 O5' R:5BU27 4.8 0.9 1.0 C2 R:5BU28 4.9 0.8 1.0

H.Kettenberger, A.Eisenfuehr, F.Brueckner, M.Theis, M.Famulok, P.Cramer. Structure of An Rna Polymerase II-Rna Inhibitor Complex Elucidates Transcription Regulation By Noncoding Rnas Nat.Struct.Mol.Biol. V. 13 44 2006.
ISSN: ISSN 1545-9993
PubMed: 16341226
DOI: 10.1038/NSMB1032