Bromine in PDB 1xeq: Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein

The structure of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein, PDB code: 1xeq was solved by J.A.Khan, C.Yin, R.M.Krug, G.T.Montelione, L.Tong, Northeast Structuralgenomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.60 / 2.10
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.032, 102.032, 108.843, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 25.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Bromine atom in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein (pdb code 1xeq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 19 binding sites of Bromine where determined in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein, PDB code: 1xeq:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br304 b:39.0 occ:1.00 O A:HOH436 2.4 60.5 1.0 N A:ASP92 3.3 13.6 1.0 O A:HOH336 3.7 29.3 1.0 CE2 A:PHE100 3.7 17.5 1.0 CA A:MET91 3.8 14.0 1.0 CD2 A:PHE100 3.9 16.2 1.0 CB A:ASP92 4.0 15.7 1.0 C A:MET91 4.1 13.7 1.0 CB A:MET91 4.2 15.0 1.0 CA A:ASP92 4.3 15.1 1.0 O A:HOH367 4.4 39.0 1.0 CE B:LYS86 4.7 30.0 1.0 CG A:MET91 4.7 18.9 1.0 CZ B:PHE90 4.8 17.1 1.0 CZ A:PHE100 4.8 16.4 1.0 O A:PHE90 4.9 13.2 1.0 CE1 B:PHE90 5.0 19.0 1.0

Bromine binding site 2 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br305 b:45.3 occ:1.00 O A:HOH375 3.1 40.9 1.0 O A:HOH364 3.2 24.6 1.0 NH2 A:ARG33 3.6 19.7 1.0 CG A:GLU29 3.9 18.2 1.0 CD A:GLU29 3.9 21.5 1.0 N A:ALA79 3.9 20.8 1.0 CA A:ALA79 4.0 20.9 1.0 CB A:LYS78 4.1 19.6 1.0 C A:LYS78 4.1 20.8 1.0 O B:HOH345 4.1 47.5 1.0 O A:LYS78 4.1 19.8 1.0 OE1 A:GLU29 4.1 17.9 1.0 CG2 A:VAL82 4.2 15.0 1.0 OD1 B:ASP92 4.3 45.2 1.0 OD2 B:ASP92 4.3 40.8 1.0 OE2 A:GLU29 4.4 23.5 1.0 CB A:ALA79 4.4 22.6 1.0 CG B:ASP92 4.5 41.9 1.0 O A:HOH446 4.6 69.5 1.0 CB A:VAL82 4.7 14.9 1.0 CA A:LYS78 4.8 20.1 1.0 CB A:GLU29 4.8 19.4 1.0 CZ A:ARG33 4.8 20.2 1.0 O A:HOH400 4.8 32.9 1.0

Bromine binding site 3 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br306 b:55.5 occ:1.00 N A:ALA95 3.2 17.9 1.0 NZ A:LYS83 3.5 34.6 1.0 O A:HOH349 3.7 35.6 1.0 CB A:ALA95 3.8 18.7 1.0 CA A:SER94 3.9 17.0 1.0 C A:SER94 4.0 16.4 1.0 CA A:ALA95 4.1 17.9 1.0 BR A:BR312 4.3 60.0 1.0 CB A:SER94 4.4 16.0 1.0 CE A:LYS83 4.6 27.4 1.0 O A:HOH407 4.7 62.7 1.0 O A:PRO93 4.7 14.4 1.0 O A:HOH391 4.9 53.9 1.0

Bromine binding site 4 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br308 b:54.9 occ:1.00 NH1 A:ARG38 3.2 31.7 1.0 N B:GLU11 3.5 22.3 1.0 O B:HOH398 3.5 65.1 1.0 NH2 A:ARG38 3.7 37.3 1.0 CZ A:ARG38 3.9 34.7 1.0 CB B:GLU11 4.0 23.4 1.0 CA B:ILE10 4.1 24.2 1.0 O A:HOH387 4.2 47.6 1.0 C B:ILE10 4.3 22.8 1.0 CG2 B:ILE10 4.3 24.7 1.0 CA B:GLU11 4.4 22.2 1.0 O B:GLN9 4.4 30.8 1.0 CB B:ILE10 4.7 24.4 1.0 O B:GLU11 4.8 22.7 1.0 CG1 B:ILE10 5.0 25.7 1.0

Bromine binding site 5 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br310 b:39.4 occ:1.00 N A:ILE97 3.4 14.1 1.0 CA A:GLY96 3.6 16.5 1.0 N B:ASP92 3.6 35.3 1.0 O B:PHE90 3.7 18.1 1.0 O B:HOH393 3.8 48.5 1.0 C A:GLY96 4.0 16.6 1.0 CA B:MET91 4.2 26.3 1.0 CB A:ILE97 4.2 15.8 1.0 CG2 A:ILE97 4.2 18.5 1.0 CB B:ASP92 4.3 37.9 1.0 O B:ASP92 4.3 38.0 1.0 C B:MET91 4.4 31.4 1.0 CA B:ASP92 4.5 37.0 1.0 CA A:ILE97 4.5 14.5 1.0 C B:PHE90 4.5 20.0 1.0 N B:MET91 4.7 22.3 1.0 N A:GLY96 4.8 17.2 1.0 C B:ASP92 4.9 36.5 1.0

Bromine binding site 6 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br311 b:25.2 occ:1.00 O A:HOH364 3.1 24.6 1.0 N A:GLY96 3.3 17.2 1.0 NH2 A:ARG33 3.3 19.7 1.0 NZ A:LYS86 3.4 7.6 1.0 O B:LEU89 3.6 12.5 1.0 NH1 A:ARG33 3.6 16.0 1.0 O B:HOH343 3.7 60.0 1.0 CB B:ASP92 3.7 37.9 1.0 CG1 A:VAL82 3.9 14.0 1.0 CA A:ALA95 4.0 17.9 1.0 CZ A:ARG33 4.0 20.2 1.0 C A:ALA95 4.1 17.0 1.0 CA A:GLY96 4.1 16.5 1.0 CB A:ALA95 4.3 18.7 1.0 O A:HOH326 4.4 16.0 1.0 CG B:ASP92 4.4 41.9 1.0 OD2 B:ASP92 4.6 40.8 1.0 CE A:LYS86 4.6 13.4 1.0 C B:LEU89 4.7 12.6 1.0 CA B:ASP92 4.7 37.0 1.0 O A:HOH330 4.8 22.1 1.0 N B:ASP92 4.9 35.3 1.0

Bromine binding site 7 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br312 b:60.0 occ:1.00 O A:HOH357 3.1 55.4 1.0 NZ A:LYS83 3.7 34.6 1.0 CA A:SER94 3.8 17.0 1.0 N A:SER94 3.9 14.7 1.0 CB A:SER94 4.0 16.0 1.0 C A:PRO93 4.0 15.5 1.0 CG A:PRO93 4.1 20.6 1.0 CB A:PRO93 4.2 17.2 1.0 BR A:BR306 4.3 55.5 1.0 O A:PRO93 4.3 14.4 1.0 CA A:PRO93 4.7 15.9 1.0 CD A:PRO93 4.8 15.3 1.0 O A:HOH437 4.9 53.3 1.0 CE A:LYS83 4.9 27.4 1.0

Bromine binding site 8 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br313 b:35.8 occ:1.00 O A:HOH430 3.1 67.2 1.0 CG A:GLU101 3.7 23.9 1.0 O A:HOH393 4.3 55.4 1.0 CD A:GLU101 4.6 36.4 1.0 OE2 A:GLU101 4.7 35.0 1.0 CB A:GLU101 4.7 19.4 1.0

Bromine binding site 9 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br314 b:32.1 occ:1.00 NH1 B:ARG47 3.1 35.2 1.0 NH2 A:ARG47 3.3 24.4 1.0 OH A:TYR31 3.3 14.2 1.0 NE A:ARG47 3.5 24.3 1.0 OH B:TYR31 3.7 25.6 1.0 CE1 A:TYR31 3.8 16.8 1.0 CE1 B:TYR31 3.8 23.5 1.0 CG2 B:ILE27 3.9 16.9 1.0 CZ A:ARG47 3.9 27.1 1.0 CZ A:TYR31 3.9 14.3 1.0 CG2 A:ILE27 4.1 15.5 1.0 CD B:ARG47 4.2 32.6 1.0 CZ B:TYR31 4.2 25.2 1.0 CD2 B:LEU51 4.2 25.3 1.0 CZ B:ARG47 4.3 36.3 1.0 NE B:ARG47 4.7 36.1 1.0 CD A:ARG47 4.7 26.8 1.0 CG B:ARG47 4.8 30.1 1.0 CD1 B:TYR31 5.0 18.2 1.0

Bromine binding site 10 out of 19 in the Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Tructure of Rna Binding Domain of Influenza B Virus Non- Structural Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Br315 b:41.9 occ:1.00 O B:HOH322 3.2 23.1 1.0 O A:HOH422 3.3 24.5 1.0 O B:HOH331 3.5 70.2 1.0 NH1 A:ARG47 3.5 27.8 1.0 CD A:ARG47 3.8 26.8 1.0 NH1 A:ARG50 3.9 36.0 1.0 CB A:ARG47 4.1 21.4 1.0 CG A:ARG47 4.1 21.4 1.0 NH2 A:ARG50 4.1 33.1 1.0 CZ A:ARG50 4.5 32.7 1.0 CZ A:ARG47 4.5 27.1 1.0 NH1 B:ARG58 4.5 52.2 1.0 O A:PRO43 4.6 18.1 1.0 NE A:ARG47 4.6 24.3 1.0 O A:HOH445 4.6 54.7 1.0 NH2 B:ARG58 4.8 51.2 1.0 CZ B:ARG58 4.9 48.9 1.0

C.Yin, J.A.Khan, G.V.Swapna, A.Ertekin, R.M.Krug, L.Tong, G.T.Montelione. Conserved Surface Features Form the Double-Stranded Rna Binding Site of Non-Structural Protein 1 (NS1) From Influenza A and B Viruses. J.Biol.Chem. V. 282 20584 2007.
ISSN: ISSN 0021-9258
PubMed: 17475623
DOI: 10.1074/JBC.M611619200