Bromine in PDB 5i5p: Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate

The structure of Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate, PDB code: 5i5p was solved by M.W.Vetting, N.F.Al Obaidi, S.L.Hogle, C.L.Dupont, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.22 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.305, 82.492, 76.577, 90.00, 98.59, 90.00
R / Rfree (%)	14.4 / 18.1

The binding sites of Bromine atom in the Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate (pdb code 5i5p). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate, PDB code: 5i5p:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate


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 A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:14.9 occ:1.00 HE1 A:TRP210 2.5 11.9 1.0 HE A:ARG283 2.7 38.5 1.0 HG21 A:THR227 3.2 13.3 1.0 O A:HOH607 3.2 16.2 1.0 HE2 A:LYS149 3.3 11.4 1.0 HG12 A:ILE293 3.4 12.9 1.0 NE1 A:TRP210 3.4 9.9 1.0 O A:HOH748 3.5 22.6 1.0 HD11 A:ILE293 3.5 13.3 1.0 NE A:ARG283 3.5 32.1 1.0 O A:HOH715 3.5 31.1 1.0 HZ2 A:TRP210 3.6 12.8 1.0 HD2 A:ARG283 3.6 19.2 1.0 HB A:THR227 3.8 13.1 1.0 CG2 A:THR227 4.0 11.1 1.0 HH21 A:ARG283 4.0 38.3 1.0 CD A:ARG283 4.1 16.0 1.0 CD1 A:ILE293 4.1 11.1 1.0 CG1 A:ILE293 4.1 10.8 1.0 HD13 A:ILE293 4.1 13.3 1.0 HG2 A:LYS149 4.1 11.5 1.0 CE2 A:TRP210 4.1 9.3 1.0 CZ2 A:TRP210 4.2 10.7 1.0 CE A:LYS149 4.2 9.5 1.0 HG22 A:THR227 4.2 13.3 1.0 CB A:THR227 4.3 10.9 1.0 HE3 A:LYS149 4.3 11.4 1.0 HG13 A:ILE293 4.4 12.9 1.0 HG3 A:ARG283 4.4 17.4 1.0 CD1 A:TRP210 4.5 9.2 1.0 CZ A:ARG283 4.5 39.7 1.0 OG1 A:THR227 4.5 12.4 1.0 NH2 A:ARG283 4.6 31.9 1.0 HD1 A:TRP210 4.6 11.0 1.0 HG23 A:THR227 4.7 13.3 1.0 CG A:ARG283 4.8 14.5 1.0 HD3 A:ARG283 4.9 19.2 1.0 CG A:LYS149 4.9 9.6 1.0 HG1 A:THR227 4.9 14.9 1.0 HZ1 A:LYS149 5.0 12.3 1.0 HD12 A:ILE293 5.0 13.3 1.0

Bromine binding site 2 out of 6 in the Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate


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 A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Br404 b:23.5 occ:1.00 O A:HOH854 2.9 27.7 1.0 HB2 A:PRO190 3.0 11.8 1.0 HB2 A:PRO192 3.0 12.2 1.0 O A:HOH772 3.0 29.6 1.0 HD2 A:PRO192 3.2 14.1 1.0 HG2 A:PRO74 3.2 15.2 1.0 O A:HOH846 3.3 22.7 1.0 HB2 A:ALA193 3.4 16.5 1.0 HG2 A:PRO192 3.6 12.1 1.0 HG2 A:PRO190 3.6 16.6 1.0 HD2 A:PRO74 3.7 17.4 1.0 H A:ALA193 3.8 13.5 1.0 CB A:PRO192 3.8 10.2 1.0 CB A:PRO190 3.8 9.8 1.0 CD A:PRO192 3.9 11.8 1.0 CG A:PRO192 4.0 10.1 1.0 HD2 A:PRO190 4.0 15.8 1.0 CG A:PRO74 4.0 12.7 1.0 HD3 A:PRO74 4.0 17.4 1.0 N A:ALA193 4.0 11.2 1.0 CD A:PRO74 4.1 14.5 1.0 CG A:PRO190 4.1 13.8 1.0 CB A:ALA193 4.3 13.8 1.0 HB3 A:PRO190 4.3 11.8 1.0 O A:HOH764 4.4 27.4 1.0 HG3 A:PRO74 4.4 15.2 1.0 C A:PRO192 4.4 12.7 1.0 HB3 A:ALA193 4.5 16.5 1.0 N A:PRO192 4.5 10.2 1.0 CA A:PRO192 4.5 13.7 1.0 HB3 A:PRO192 4.5 12.2 1.0 CD A:PRO190 4.6 13.2 1.0 O A:PRO190 4.6 12.4 1.0 CA A:ALA193 4.6 12.2 1.0 O A:HOH838 4.7 19.1 1.0 HA A:ALA193 4.7 14.7 1.0 HD3 A:PRO192 4.7 14.1 1.0 C A:PRO190 4.8 9.7 1.0 CA A:PRO190 4.9 11.3 1.0 O A:HOH796 4.9 19.8 1.0 HG3 A:PRO192 4.9 12.1 1.0 HB1 A:ALA193 5.0 16.5 1.0

Bromine binding site 3 out of 6 in the Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate


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 A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Br405 b:31.3 occ:1.00 H A:GLU154 2.6 16.0 1.0 H A:LYS155 2.7 18.4 1.0 HB2 A:LYS153 3.1 14.7 1.0 HB A:THR152 3.1 14.1 1.0 HG2 A:GLU154 3.1 40.8 1.0 H A:LYS153 3.1 14.3 1.0 HB2 A:LYS155 3.3 17.7 1.0 N A:GLU154 3.4 13.3 1.0 HB3 A:LYS155 3.5 17.7 1.0 N A:LYS155 3.5 15.3 1.0 CE A:MSE166 3.5 5.6 0.2 N A:LYS153 3.6 11.9 1.0 CB A:LYS155 3.8 14.8 1.0 CB A:LYS153 3.9 12.3 1.0 HB3 A:ASP204 3.9 20.4 1.0 CG A:GLU154 4.0 34.0 1.0 CB A:THR152 4.1 11.8 1.0 CA A:LYS153 4.1 12.2 1.0 HG3 A:GLU154 4.2 40.8 1.0 C A:LYS153 4.3 12.8 1.0 CA A:LYS155 4.3 14.5 1.0 O A:ASP204 4.3 13.6 1.0 CA A:GLU154 4.3 14.6 1.0 C A:GLU154 4.4 15.9 1.0 C A:THR152 4.5 11.3 1.0 HB3 A:LYS153 4.5 14.7 1.0 HG1 A:THR152 4.6 15.5 1.0 OG1 A:THR152 4.6 12.9 1.0 HG3 A:LYS153 4.6 17.3 1.0 HD2 A:LYS153 4.6 26.0 1.0 CB A:GLU154 4.7 25.0 1.0 SE A:MSE166 4.8 43.0 0.8 CA A:THR152 4.8 13.4 1.0 HA A:THR152 4.8 16.1 1.0 CG A:LYS153 4.8 14.4 1.0 HG21 A:THR152 4.9 17.5 1.0 CB A:ASP204 4.9 17.0 1.0 HA A:LYS155 4.9 17.4 1.0 CG2 A:THR152 4.9 14.6 1.0 HD2 A:LYS155 5.0 26.2 1.0 HG22 A:THR152 5.0 17.5 1.0 CE A:MSE166 5.0 11.7 0.8

Bromine binding site 4 out of 6 in the Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br405 b:18.0 occ:1.00 HE1 B:TRP210 2.5 14.1 1.0 HE B:ARG283 2.7 35.3 1.0 HG21 B:THR227 3.1 18.9 1.0 O B:HOH607 3.3 21.1 1.0 NE1 B:TRP210 3.4 11.8 1.0 HE2 B:LYS149 3.4 11.4 1.0 O B:HOH788 3.4 26.3 1.0 NE B:ARG283 3.5 29.4 1.0 HD11 B:ILE293 3.5 19.4 1.0 HG12 B:ILE293 3.5 14.3 1.0 HZ2 B:TRP210 3.6 11.9 1.0 HD2 B:ARG283 3.6 19.1 1.0 HB B:THR227 3.7 17.1 1.0 HG1 B:THR227 3.7 19.4 1.0 HH11 B:ARG283 3.9 43.8 1.0 CG2 B:THR227 3.9 15.8 1.0 CD B:ARG283 4.1 15.9 1.0 CD1 B:ILE293 4.1 16.1 1.0 HD13 B:ILE293 4.1 19.4 1.0 CE2 B:TRP210 4.1 9.6 1.0 HG2 B:LYS149 4.1 12.5 1.0 CB B:THR227 4.2 14.2 1.0 CZ2 B:TRP210 4.2 9.9 1.0 HG22 B:THR227 4.2 18.9 1.0 CG1 B:ILE293 4.2 11.9 1.0 CE B:LYS149 4.3 9.5 1.0 O B:HOH891 4.3 44.5 1.0 HE3 B:LYS149 4.3 11.4 1.0 HG3 B:ARG283 4.3 17.0 1.0 OG1 B:THR227 4.3 16.2 1.0 CD1 B:TRP210 4.4 12.3 1.0 CZ B:ARG283 4.5 38.7 1.0 NH1 B:ARG283 4.5 36.5 1.0 HG13 B:ILE293 4.5 14.3 1.0 HD1 B:TRP210 4.6 14.8 1.0 HG23 B:THR227 4.7 18.9 1.0 CG B:ARG283 4.8 14.1 1.0 HD3 B:ARG283 4.9 19.1 1.0 CG B:LYS149 4.9 10.4 1.0 HG3 B:LYS149 4.9 12.5 1.0

Bromine binding site 5 out of 6 in the Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br406 b:19.7 occ:1.00 HB2 B:PRO190 2.9 13.5 1.0 HG2 B:PRO74 3.2 18.2 1.0 HB2 B:PRO192 3.2 14.4 1.0 HD2 B:PRO74 3.3 22.9 1.0 HD2 B:PRO192 3.3 13.5 1.0 HB2 B:ALA193 3.4 18.7 1.0 O A:HOH713 3.4 24.1 1.0 HG2 B:PRO190 3.4 17.4 1.0 O B:HOH875 3.5 24.2 1.0 CB B:PRO190 3.8 11.3 1.0 HD2 B:PRO190 3.8 14.9 1.0 H B:ALA193 3.8 14.4 1.0 CD B:PRO74 3.8 19.1 1.0 HD3 B:PRO74 3.9 22.9 1.0 CG B:PRO74 3.9 15.2 1.0 CG B:PRO190 4.0 14.5 1.0 HG2 B:PRO192 4.0 11.4 1.0 CB B:PRO192 4.1 12.0 1.0 N B:ALA193 4.1 12.0 1.0 CD B:PRO192 4.1 11.2 1.0 CB B:ALA193 4.2 15.6 1.0 HB3 B:PRO190 4.3 13.5 1.0 CG B:PRO192 4.3 9.5 1.0 CD B:PRO190 4.4 12.4 1.0 HG3 B:PRO74 4.4 18.2 1.0 HB3 B:ALA193 4.5 18.7 1.0 C B:PRO192 4.5 11.9 1.0 O B:PRO190 4.6 10.5 1.0 CA B:ALA193 4.6 16.0 1.0 N B:PRO192 4.7 10.5 1.0 CA B:PRO192 4.7 12.4 1.0 HA B:ALA193 4.7 19.2 1.0 HB3 B:PRO192 4.8 14.4 1.0 HB3 B:LYS73 4.8 17.0 1.0 CA B:PRO190 4.8 9.4 1.0 C B:PRO190 4.8 9.7 1.0 HG3 B:PRO190 4.9 17.4 1.0 HB2 B:PRO74 4.9 15.4 1.0 HD3 B:PRO192 4.9 13.5 1.0 HB1 B:ALA193 5.0 18.7 1.0 O A:HOH690 5.0 16.2 1.0

Bromine binding site 6 out of 6 in the Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br407 b:22.9 occ:1.00 H B:GLU154 2.6 14.8 1.0 HE1 B:MSE166 2.6 23.5 1.0 H B:LYS155 2.6 15.0 1.0 HG2 B:GLU154 2.9 38.1 1.0 HB2 B:LYS153 3.1 14.2 1.0 HB B:THR152 3.2 13.8 1.0 O B:HOH657 3.2 25.6 1.0 H B:LYS153 3.3 12.6 1.0 N B:GLU154 3.4 12.3 1.0 N B:LYS155 3.4 12.5 1.0 HG3 B:GLU154 3.4 38.1 1.0 HB2 B:LYS155 3.4 19.9 1.0 HB3 B:ASP204 3.4 15.5 1.0 HB3 B:LYS155 3.5 19.9 1.0 CE B:MSE166 3.6 19.6 1.0 CG B:GLU154 3.6 31.8 1.0 N B:LYS153 3.8 10.4 1.0 CB B:LYS155 3.8 16.6 1.0 HE2 B:MSE166 4.0 23.5 1.0 CB B:LYS153 4.0 11.8 1.0 HE3 B:MSE166 4.1 23.5 1.0 CB B:THR152 4.1 11.5 1.0 CA B:GLU154 4.2 14.2 1.0 CA B:LYS153 4.2 12.2 1.0 C B:GLU154 4.2 15.7 1.0 CA B:LYS155 4.2 12.8 1.0 O B:ASP204 4.3 12.2 1.0 C B:LYS153 4.3 13.5 1.0 CB B:ASP204 4.4 12.9 1.0 HB3 B:LYS153 4.5 14.2 1.0 CB B:GLU154 4.5 19.4 1.0 SE B:MSE166 4.5 31.3 1.0 C B:THR152 4.5 10.8 1.0 O B:HOH674 4.6 40.5 1.0 HD2 B:LYS153 4.6 19.5 1.0 HG1 B:THR152 4.7 15.5 1.0 CD B:GLU154 4.7 51.4 1.0 OG1 B:THR152 4.7 12.9 1.0 HG3 B:LYS153 4.8 17.0 1.0 CA B:THR152 4.8 9.8 1.0 HG21 B:THR152 4.8 11.7 1.0 OE1 B:GLU154 4.8 41.0 1.0 HA B:THR152 4.9 11.8 1.0 HA B:LYS155 4.9 15.3 1.0 HG22 B:THR152 4.9 11.7 1.0 HB2 B:ASP204 4.9 15.5 1.0 CG2 B:THR152 4.9 9.7 1.0 CG B:LYS153 4.9 14.2 1.0 HA B:ASP204 4.9 15.4 1.0

M.W.Vetting, N.F.Al Obaidi, S.L.Hogle, C.L.Dupont, S.C.Almo. Crystal Structure of A Marine Metagenome Trap Solute Binding Protein Specific For Aromatic Acid Ligands (Sorcerer II Global Ocean Sampling Expedition, Unidentified Microbe, Locus Tag GOS_1523157) in Complex with Co-Purified 4-Hydroxybenzoate To Be Published.