Bromine in PDB 3ush: Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207

The structure of Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207, PDB code: 3ush was solved by S.Vorobiev, M.Su, J.Seetharaman, M.Maglaqui, R.Xiao, E.Kohan, D.Wang, J.K.Everett, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt, Northeaststructural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.99 / 1.69
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.079, 85.417, 42.800, 90.00, 94.42, 90.00
R / Rfree (%)	17.1 / 19.4

The binding sites of Bromine atom in the Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207 (pdb code 3ush). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207, PDB code: 3ush:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207


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 the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:21.1 occ:1.00 O A:HOH441 3.2 37.4 1.0 N A:CYS83 3.3 12.5 1.0 ND2 A:ASN60 3.4 16.8 1.0 CD2 A:LEU82 3.8 14.3 1.0 SG A:CYS83 3.9 22.3 1.0 CA A:LEU82 3.9 12.8 1.0 CB A:ARG86 3.9 11.6 1.0 CB A:CYS83 3.9 17.4 1.0 CG A:ARG86 4.0 14.5 1.0 CB A:LEU82 4.1 9.8 1.0 C A:LEU82 4.2 13.6 1.0 CA A:CYS83 4.2 12.4 1.0 CD1 A:LEU62 4.3 15.7 1.0 CG A:ASN60 4.3 15.3 1.0 OD1 A:ASN60 4.3 17.9 1.0 CD2 A:LEU62 4.3 15.7 1.0 NE2 A:HIS41 4.6 18.0 1.0 CG A:LEU82 4.6 13.0 1.0 CD2 A:HIS41 4.7 18.6 1.0 CG A:LEU62 4.8 15.3 1.0 O A:CYS83 4.8 16.2 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207


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 the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:36.2 occ:1.00 OH A:TYR26 3.0 32.1 1.0 N A:ARG36 3.4 19.1 1.0 CB A:ARG36 3.6 21.9 1.0 CD A:PRO35 3.8 21.4 1.0 CG A:ARG36 3.8 29.4 1.0 N A:PRO35 3.8 18.1 1.0 NH1 A:ARG36 3.9 42.9 1.0 CZ A:TYR26 3.9 28.3 1.0 CE1 A:TYR26 4.0 24.2 1.0 C A:GLY34 4.0 17.4 1.0 CA A:ARG36 4.1 19.8 1.0 CA A:GLY34 4.1 19.8 1.0 CD A:ARG36 4.2 36.3 1.0 C A:PRO35 4.4 20.7 1.0 CB A:PRO35 4.4 22.9 1.0 CA A:PRO35 4.4 20.2 1.0 O A:GLY34 4.6 16.5 1.0 CG A:PRO35 4.6 25.3 1.0 CE2 A:PHE25 4.8 21.8 1.0 N A:ASP37 4.8 17.8 1.0 CZ A:ARG36 4.8 44.7 1.0 C A:ARG36 4.9 17.9 1.0 NE A:ARG36 4.9 40.4 1.0 N A:GLY34 5.0 21.3 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br202 b:28.6 occ:1.00 O B:HOH485 2.7 44.5 1.0 N B:CYS83 3.4 14.1 1.0 ND2 B:ASN60 3.5 22.9 1.0 CG B:ARG86 3.8 24.1 1.0 CA B:LEU82 3.9 13.4 1.0 SG B:CYS83 3.9 24.9 1.0 CD2 B:LEU82 3.9 17.6 1.0 CB B:CYS83 4.0 21.4 1.0 O B:HOH397 4.0 36.8 1.0 CB B:ARG86 4.1 17.8 1.0 O B:HOH435 4.1 37.2 1.0 C B:LEU82 4.2 15.1 1.0 OD1 B:ASN60 4.2 25.1 1.0 CG B:ASN60 4.2 22.7 1.0 O B:HOH355 4.2 47.1 1.0 O B:HOH468 4.2 41.2 1.0 CB B:LEU82 4.2 12.1 1.0 CA B:CYS83 4.3 14.7 1.0 CD2 B:HIS41 4.5 21.5 1.0 NE2 B:HIS41 4.6 20.3 1.0 O B:CYS81 4.7 18.4 1.0 CG B:LEU82 4.7 13.8 1.0 CD1 B:LEU62 4.8 22.8 1.0 CD B:ARG86 5.0 24.6 1.0

S.Vorobiev, M.Su, J.Seetharaman, M.Maglaqui, R.Xiao, E.Kohan, D.Wang, J.K.Everett, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt. Crystal Structure of the Q2S0R5 Protein From Salinibacter Ruber, Northeast Structural Genomics Consortium Target SRR207 To Be Published.