Bromine in PDB 2muv: Noe-Based Model of the Influenza A Virus M2 (19-49) Bound to Drug 11

The binding sites of Bromine atom in the Noe-Based Model of the Influenza A Virus M2 (19-49) Bound to Drug 11 (pdb code 2muv). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Noe-Based Model of the Influenza A Virus M2 (19-49) Bound to Drug 11, PDB code: 2muv:

Bromine binding site 1 out of 1 in the Noe-Based Model of the Influenza A Virus M2 (19-49) Bound to Drug 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Noe-Based Model of the Influenza A Virus M2 (19-49) Bound to Drug 11 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br100 b:0.0 occ:1.00 BR C:3LW100 0.0 0.0 1.0 C1 C:3LW100 1.9 0.0 1.0 HA C:VAL27 2.0 0.0 1.0 HG21 C:VAL27 2.1 0.0 1.0 HG11 D:VAL27 2.4 0.0 1.0 C2 C:3LW100 2.9 0.0 1.0 HG11 C:VAL27 2.9 0.0 1.0 S C:3LW100 3.0 0.0 1.0 CA C:VAL27 3.0 0.0 1.0 CG2 C:VAL27 3.1 0.0 1.0 H2 C:3LW100 3.1 0.0 1.0 HG12 D:VAL27 3.1 0.0 1.0 CG1 D:VAL27 3.1 0.0 1.0 CB C:VAL27 3.4 0.0 1.0 HG13 D:VAL27 3.4 0.0 1.0 HG23 C:VAL27 3.6 0.0 1.0 HB3 C:ALA30 3.6 0.0 1.0 CG1 C:VAL27 3.6 0.0 1.0 N C:VAL27 3.7 0.0 1.0 HB2 D:ASN31 3.7 0.0 1.0 HB1 C:ALA30 3.8 0.0 1.0 HG22 C:VAL27 3.8 0.0 1.0 O D:VAL27 3.9 0.0 1.0 C3 C:3LW100 4.0 0.0 1.0 C12 C:3LW100 4.1 0.0 1.0 C C:VAL27 4.1 0.0 1.0 O C:LEU26 4.1 0.0 1.0 O C:VAL27 4.1 0.0 1.0 CB C:ALA30 4.2 0.0 1.0 C C:LEU26 4.2 0.0 1.0 HG13 C:VAL27 4.2 0.0 1.0 H C:VAL27 4.3 0.0 1.0 HD21 D:ASN31 4.4 0.0 1.0 HA D:VAL27 4.4 0.0 1.0 HB C:VAL27 4.4 0.0 1.0 HB2 C:ALA30 4.5 0.0 1.0 HG12 C:VAL27 4.5 0.0 1.0 CB D:VAL27 4.5 0.0 1.0 C D:VAL27 4.5 0.0 1.0 HB3 D:ALA30 4.6 0.0 1.0 CA D:VAL27 4.7 0.0 1.0 HB3 C:LEU26 4.8 0.0 1.0 CB D:ASN31 4.8 0.0 1.0 HG21 D:VAL27 4.9 0.0 1.0 H D:ASN31 4.9 0.0 1.0 HB2 C:LEU26 5.0 0.0 1.0 H3 C:3LW100 5.0 0.0 1.0

Y.Wu, B.Canturk, H.Jo, C.Ma, E.Gianti, G.Fiorin, L.H.Pinto, R.A.Lamb, M.L.Klein, J.Wang, W.F.Degrado. Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type Versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc. 2014.
ISSN: ESSN 1520-5126
PubMed: 25470189
DOI: 10.1021/JA508461M