Bromine in PDB 5idh: Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid

All present enzymatic activity of Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid:
2.7.7.63;

The structure of Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid, PDB code: 5idh was solved by S.J.Hughes, J.H.Song, T.Antoshchenko, H.W.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.968, 67.757, 54.193, 90.00, 115.73, 90.00
R / Rfree (%)	17.8 / 21.7

The binding sites of Bromine atom in the Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid (pdb code 5idh). 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 Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid, PDB code: 5idh:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid


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 Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:25.4 occ:0.73 BRA A:SH6401 0.0 25.4 0.7 BRA A:SH6401 1.3 19.5 0.3 CAJ A:SH6401 2.0 31.4 0.7 CAJ A:SH6401 2.6 21.3 0.3 CAI A:SH6401 3.0 31.1 0.7 O A:HOH577 3.5 25.0 1.0 CE1 A:HIS77 3.6 15.6 1.0 OH A:TYR35 3.6 20.6 1.0 CAH A:SH6401 3.8 33.4 0.7 CAI A:SH6401 3.8 21.5 0.3 CG2 A:ILE42 3.9 15.4 1.0 NE2 A:HIS77 4.1 20.1 1.0 CD A:ARG68 4.2 13.3 1.0 CE2 A:TYR35 4.3 13.7 1.0 CG1 A:ILE42 4.4 14.2 1.0 OG1 A:THR149 4.4 26.2 1.0 CZ A:TYR35 4.4 17.3 1.0 CE1 A:HIS147 4.4 17.1 1.0 CB A:ILE42 4.5 14.8 1.0 OD1 A:ASN83 4.5 18.8 1.0 CAH A:SH6401 4.6 21.9 0.3 CD1 A:LEU15 4.6 15.1 1.0 ND1 A:HIS147 4.7 18.3 1.0 ND1 A:HIS77 4.8 16.9 1.0 CB A:ARG68 4.9 14.1 1.0 CG A:ASN83 5.0 16.2 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid


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 Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:19.5 occ:0.27 BRA A:SH6401 0.0 19.5 0.3 BRA A:SH6401 1.3 25.4 0.7 CAJ A:SH6401 1.9 31.4 0.7 CAJ A:SH6401 2.0 21.3 0.3 CAI A:SH6401 2.4 31.1 0.7 CAH A:SH6401 2.7 33.4 0.7 CAI A:SH6401 3.0 21.5 0.3 CAH A:SH6401 3.4 21.9 0.3 OG1 A:THR149 3.6 26.2 1.0 CE1 A:HIS77 3.6 15.6 1.0 NE2 A:HIS77 3.6 20.1 1.0 CD A:ARG68 4.0 13.3 1.0 CAG A:SH6401 4.0 31.3 0.7 CG2 A:ILE42 4.1 15.4 1.0 CG2 A:VAL75 4.1 17.0 0.5 CB A:ILE42 4.3 14.8 1.0 OD1 A:ASN83 4.4 18.8 1.0 CG1 A:ILE42 4.4 14.2 1.0 O A:HOH577 4.5 25.0 1.0 CAF A:SH6401 4.6 30.3 0.7 NH1 A:ARG68 4.6 15.2 1.0 NE A:ARG68 4.6 13.6 1.0 OH A:TYR35 4.7 20.6 1.0 CAG A:SH6401 4.8 19.8 0.3 CE1 A:HIS147 4.8 17.1 1.0 ND1 A:HIS77 4.8 16.9 1.0 CZ A:ARG68 4.9 15.3 1.0 CD2 A:HIS77 5.0 19.2 1.0 CB A:THR149 5.0 24.4 1.0

S.J.Hughes, J.H.Song, T.Antoshchenko, H.W.Park. Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8-Bromooctanoic Acid To Be Published.