Bromine in PDB 4dyp: Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound

The structure of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound, PDB code: 4dyp was solved by H.A.Lewis, E.T.Baldwin, S.Steinbacher, K.Maskos, M.Mortl, R.Kiefersauer, S.Edavettal, P.A.Mcdonnell, B.C.Pearce, D.R.Langley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.85 / 2.82
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	146.550, 146.550, 146.550, 90.00, 90.00, 90.00
R / Rfree (%)	25.4 / 29.4

The structure of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound (pdb code 4dyp). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound, PDB code: 4dyp:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:50.3 occ:1.00 BR2 A:0MS601 0.0 50.3 1.0 C11 A:0MS601 1.9 48.7 1.0 C6 A:0MS601 2.8 48.4 1.0 C5 A:0MS601 2.8 48.6 1.0 O A:ASP302 3.4 35.1 1.0 OH A:TYR289 3.4 41.3 1.0 CZ A:TYR289 3.9 41.0 1.0 N A:LEU306 3.9 36.9 1.0 CB A:ASP302 4.0 35.5 1.0 CB A:LEU306 4.0 36.4 1.0 CA A:ASP302 4.0 35.5 1.0 C A:ASP302 4.0 35.3 1.0 CE1 A:TYR296 4.1 36.5 1.0 N22 A:0MS601 4.1 48.9 1.0 C9 A:0MS601 4.1 48.9 1.0 CE2 A:TYR289 4.1 40.7 1.0 CG A:ARG305 4.2 38.2 1.0 CB A:ARG305 4.2 37.3 1.0 CA A:LEU306 4.2 36.8 1.0 CD1 A:TYR296 4.4 36.5 1.0 OD1 A:ASP302 4.5 35.8 1.0 C A:ARG305 4.6 37.1 1.0 C14 A:0MS601 4.6 48.7 1.0 CE1 A:TYR289 4.7 40.3 1.0 CD A:ARG305 4.7 39.5 1.0 CG A:ASP302 4.7 35.6 1.0 CE1 A:PHE291 4.8 41.8 1.0 CA A:ARG305 5.0 37.0 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:57.7 occ:1.00 BR2 B:0MS601 0.0 57.7 1.0 C11 B:0MS601 1.9 56.9 1.0 C6 B:0MS601 2.8 56.9 1.0 C5 B:0MS601 2.9 56.9 1.0 OH B:TYR289 3.3 43.1 1.0 O B:ASP302 3.4 46.6 1.0 CZ B:TYR289 3.8 43.4 1.0 CB B:ARG305 3.8 45.4 1.0 N B:LEU306 3.9 44.5 1.0 CA B:ASP302 4.0 46.5 1.0 C B:ASP302 4.0 46.5 1.0 CE2 B:TYR289 4.1 43.3 1.0 CB B:ASP302 4.1 46.5 1.0 CB B:LEU306 4.1 44.2 1.0 N22 B:0MS601 4.1 56.9 1.0 C9 B:0MS601 4.1 56.9 1.0 CE1 B:TYR296 4.2 48.2 1.0 CA B:LEU306 4.3 44.3 1.0 OD1 B:ASP302 4.3 46.9 1.0 CD1 B:TYR296 4.4 48.0 1.0 C B:ARG305 4.5 44.8 1.0 CE1 B:TYR289 4.5 43.3 1.0 C14 B:0MS601 4.6 56.7 1.0 CG B:ASP302 4.7 47.1 1.0 CA B:ARG305 4.8 44.9 1.0 CG B:ARG305 4.8 46.7 1.0 CE1 B:PHE291 4.9 46.7 1.0 CD1 B:LEU306 5.0 43.6 1.0

H.A.Lewis, E.T.Baldwin, S.Steinbacher, K.Maskos, M.Mortl, R.Kiefersauer, S.Edavettal, P.A.Mcdonnell, B.C.Pearce, D.R.Langley. To Be Determined To Be Published.