Bromine in PDB 2bu1: MS2-Rna Hairpin (5BRU -5) Complex

The structure of MS2-Rna Hairpin (5BRU -5) Complex, PDB code: 2bu1 was solved by E.Grahn, T.Moss, C.Helgstrand, K.Fridborg, M.Sundaram, K.Tars, H.Lago, N.J.Stonehouse, D.R.Davis, P.G.Stockley, L.Liljas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.00 / 2.20
Space group	H 3 2 5
Cell size a, b, c (Å), α, β, γ (°)	288.000, 288.000, 653.000, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 24.4

The binding sites of Bromine atom in the MS2-Rna Hairpin (5BRU -5) Complex (pdb code 2bu1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the MS2-Rna Hairpin (5BRU -5) Complex, PDB code: 2bu1:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the MS2-Rna Hairpin (5BRU -5) Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of MS2-Rna Hairpin (5BRU -5) Complex within 5.0Å range: probe atom residue distance (Å) B Occ R:Br11 b:39.4 occ:0.70 BR R:5BU11 0.0 39.4 0.7 C5 R:5BU11 1.9 32.1 0.7 C6 R:5BU11 2.8 31.3 0.7 C4 R:5BU11 2.8 31.7 0.7 O4 R:5BU11 3.1 31.2 0.7 OP2 R:U10 3.1 34.7 0.7 CE1 A:TYR85 3.5 27.1 1.0 CD1 A:TYR85 3.7 25.7 1.0 C2' R:A9 3.8 36.5 0.7 O5' R:U10 3.8 36.8 0.7 C3' R:A9 3.8 36.2 0.7 C8 R:A9 3.9 36.2 0.7 N9 R:A9 3.9 35.9 0.7 P R:U10 4.0 36.6 0.7 CZ A:TYR85 4.1 27.6 1.0 N7 R:A9 4.1 36.0 0.7 N1 R:5BU11 4.1 31.4 0.7 C4 R:A9 4.1 35.5 0.7 C5' R:U10 4.1 39.2 0.7 N3 R:5BU11 4.1 29.8 0.7 C5 R:A9 4.2 35.5 0.7 CG A:TYR85 4.4 24.7 1.0 C1' R:A9 4.4 36.4 0.7 O3' R:A9 4.4 36.4 0.7 OH A:TYR85 4.6 30.7 1.0 C2 R:5BU11 4.6 30.6 0.7 CE2 A:TYR85 4.7 26.3 1.0 CG2 B:THR91 4.7 20.6 1.0 N3 R:A9 4.7 35.3 0.7 CD2 A:TYR85 4.8 25.9 1.0 ND2 B:ASN55 4.9 30.0 1.0 O5' R:A9 4.9 38.9 0.7 C6 R:A9 5.0 35.3 0.7 O2' R:A9 5.0 39.0 0.7 C3' R:U10 5.0 40.6 0.7

Bromine binding site 2 out of 2 in the MS2-Rna Hairpin (5BRU -5) Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of MS2-Rna Hairpin (5BRU -5) Complex within 5.0Å range: probe atom residue distance (Å) B Occ S:Br11 b:59.0 occ:0.50 BR S:5BU11 0.0 59.0 0.5 C5 S:5BU11 1.9 54.5 0.5 C6 S:5BU11 2.8 54.1 0.5 C4 S:5BU11 2.8 54.0 0.5 O4 S:5BU11 3.1 52.8 0.5 OP2 S:U10 3.1 53.8 0.5 O5' S:U10 3.4 55.3 0.5 C2' S:A9 3.5 51.5 0.5 C3' S:A9 3.5 51.6 0.5 CE1 C:TYR85 3.6 32.7 1.0 C8 S:A9 3.7 51.9 0.5 CD1 C:TYR85 3.7 30.5 1.0 P S:U10 3.7 54.5 0.5 N9 S:A9 3.8 51.4 0.5 N7 S:A9 4.1 52.6 0.5 C4 S:A9 4.1 51.9 0.5 N1 S:5BU11 4.1 53.4 0.5 O3' S:A9 4.1 53.0 0.5 N3 S:5BU11 4.1 53.2 0.5 C5' S:U10 4.1 56.7 0.5 CZ C:TYR85 4.1 33.1 1.0 C1' S:A9 4.2 51.1 0.5 C5 S:A9 4.3 52.4 0.5 CG C:TYR85 4.4 29.3 1.0 C2 S:5BU11 4.6 53.4 0.5 OH C:TYR85 4.7 36.6 1.0 O2' S:A9 4.7 50.9 0.5 CE2 C:TYR85 4.7 32.1 1.0 O5' S:A9 4.8 50.8 0.5 C4' S:A9 4.8 51.2 0.5 N3 S:A9 4.8 52.0 0.5 CD2 C:TYR85 4.8 30.9 1.0 O4' S:A9 4.9 50.8 0.5 C3' S:U10 4.9 57.5 0.5

E.Grahn, T.Moss, C.Helgstrand, K.Fridborg, M.Sundaram, K.Tars, H.Lago, N.J.Stonehouse, D.R.Davis, P.G.Stockley, L.Liljas. Structural Basis of Pyrimidine Specificity in the MS2 Rna Hairpin-Coat-Protein Complex. Rna V. 7 1616 2001.
ISSN: ISSN 1355-8382
PubMed: 11720290