Bromine in PDB 3lbw: High Resolution Crystal Structure of Transmembrane Domain of M2

The structure of High Resolution Crystal Structure of Transmembrane Domain of M2, PDB code: 3lbw was solved by R.Acharya, A.L.Polishchuk, W.F.Degrado, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.53 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.665, 79.091, 48.559, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 20.5

The binding sites of Bromine atom in the High Resolution Crystal Structure of Transmembrane Domain of M2 (pdb code 3lbw). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the High Resolution Crystal Structure of Transmembrane Domain of M2, PDB code: 3lbw:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the High Resolution Crystal Structure of Transmembrane Domain of M2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of High Resolution Crystal Structure of Transmembrane Domain of M2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br24 b:26.0 occ:0.70 BR4 A:Z8224 0.0 26.0 0.7 C4 A:Z8224 1.9 23.6 1.0 C5 A:Z8224 2.8 22.9 1.0 C3 A:Z8224 2.8 23.4 1.0 C4 A:PEG48 3.9 53.2 1.0 C6 A:Z8224 4.1 21.7 1.0 C2 A:Z8224 4.2 22.2 1.0 O2 A:PEG48 4.5 53.1 1.0 O4 A:PEG48 4.6 53.4 1.0 C1 A:Z8224 4.7 21.7 1.0 C3 A:PEG48 4.7 53.1 1.0 C2 A:PEG48 4.9 52.8 1.0

Bromine binding site 2 out of 4 in the High Resolution Crystal Structure of Transmembrane Domain of M2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of High Resolution Crystal Structure of Transmembrane Domain of M2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br24 b:30.5 occ:0.80 BR4 B:Z8224 0.0 30.5 0.8 C4 B:Z8224 1.9 26.1 1.0 C5 B:Z8224 2.8 25.4 1.0 C3 B:Z8224 2.8 25.1 1.0 C6 B:Z8224 4.1 23.4 1.0 C2 B:Z8224 4.1 23.5 1.0 C2 C:PEG49 4.4 52.5 1.0 C1 B:Z8224 4.6 22.0 1.0 C4 C:PEG49 4.8 52.8 1.0 O2 C:PEG49 4.8 52.6 1.0 C3 C:PEG49 4.9 52.7 1.0

Bromine binding site 3 out of 4 in the High Resolution Crystal Structure of Transmembrane Domain of M2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of High Resolution Crystal Structure of Transmembrane Domain of M2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br24 b:21.7 occ:0.80 BR4 C:Z8224 0.0 21.7 0.8 C4 C:Z8224 1.9 18.6 1.0 C5 C:Z8224 2.8 17.7 1.0 C3 C:Z8224 2.8 18.5 1.0 C6 C:Z8224 4.1 15.9 1.0 C2 C:Z8224 4.2 16.6 1.0 C1 C:Z8224 4.7 15.3 1.0 O1 C:PEG50 4.9 43.4 1.0

Bromine binding site 4 out of 4 in the High Resolution Crystal Structure of Transmembrane Domain of M2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of High Resolution Crystal Structure of Transmembrane Domain of M2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br24 b:29.8 occ:0.70 BR4 D:Z8224 0.0 29.8 0.7 C4 D:Z8224 1.9 25.0 1.0 C5 D:Z8224 2.8 23.9 1.0 C3 D:Z8224 2.9 24.2 1.0 C6 D:Z8224 4.2 20.9 1.0 C2 D:Z8224 4.2 21.8 1.0 C1 D:Z8224 4.7 20.4 1.0

R.Acharya, V.Carnevale, G.Fiorin, B.G.Levine, A.L.Polishchuk, V.Balannik, I.Samish, R.A.Lamb, L.H.Pinto, W.F.Degrado, M.L.Klein. Structure and Mechanism of Proton Transport Through the Transmembrane Tetrameric M2 Protein Bundle of the Influenza A Virus. Proc.Natl.Acad.Sci.Usa V. 107 15075 2010.
ISSN: ISSN 0027-8424
PubMed: 20689043
DOI: 10.1073/PNAS.1007071107