Bromine in PDB 5ich: Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8BO-Amp

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

The structure of Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8BO-Amp, PDB code: 5ich 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)	21.50 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.917, 69.383, 97.664, 90.00, 92.30, 90.00
R / Rfree (%)	16.9 / 20.5

The binding sites of Bromine atom in the Crystal Structure of Enterococcus Faecalis Lipoate-Protein Ligase A (Lpla-2) in Complex with 8BO-Amp (pdb code 5ich). 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 8BO-Amp, PDB code: 5ich:
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 8BO-Amp


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 8BO-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:16.6 occ:0.80 BRA A:SH5401 0.0 16.6 0.8 CAB A:SH5401 2.0 16.0 1.0 CAC A:SH5401 2.9 15.5 1.0 CAD A:SH5401 3.3 14.9 1.0 OH A:TYR35 3.6 15.5 1.0 NE2 A:HIS77 3.7 11.9 1.0 CG2 A:ILE42 3.8 10.5 1.0 CE2 A:TYR35 4.1 11.3 1.0 CG1 A:ILE42 4.1 10.1 1.0 CD A:ARG68 4.2 7.1 1.0 CB A:ILE42 4.3 9.3 1.0 CZ A:TYR35 4.3 12.7 1.0 CE1 A:HIS77 4.4 11.2 1.0 CE1 A:HIS147 4.5 12.0 1.0 CD1 A:LEU15 4.5 14.9 1.0 ND1 A:HIS147 4.6 12.4 1.0 OD1 A:ASN83 4.7 9.4 1.0 CD2 A:HIS77 4.7 10.0 1.0 CAE A:SH5401 4.7 13.5 1.0 CD1 A:ILE42 4.9 10.6 1.0 CG A:ASN83 4.9 8.8 1.0 NE2 A:HIS147 5.0 11.2 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 8BO-Amp


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 8BO-Amp within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:25.0 occ:0.80 BRA B:SH5401 0.0 25.0 0.8 CAB B:SH5401 2.0 27.9 0.7 CAC B:SH5401 2.9 25.4 1.0 CAD B:SH5401 3.2 25.6 1.0 OH B:TYR35 3.6 19.2 1.0 NE2 B:HIS77 3.6 16.1 1.0 CG2 B:ILE42 3.8 13.8 1.0 CD B:ARG68 4.2 11.8 1.0 CE2 B:TYR35 4.3 16.9 1.0 CE1 B:HIS147 4.3 17.2 1.0 CG1 B:ILE42 4.3 14.3 1.0 CB B:ILE42 4.4 14.2 1.0 CZ B:TYR35 4.4 17.5 1.0 CE1 B:HIS77 4.4 16.0 1.0 CD1 B:LEU15 4.4 13.9 1.0 ND1 B:HIS147 4.5 16.9 1.0 CD2 B:HIS77 4.7 15.1 1.0 CB B:ARG68 4.7 12.5 1.0 CAE B:SH5401 4.7 24.3 1.0 OD1 B:ASN83 4.8 12.1 1.0 CD2 B:LEU15 4.8 14.4 1.0 CG B:LEU15 4.9 14.1 1.0 NE2 B:HIS147 4.9 17.6 1.0 CG B:ASN83 5.0 12.6 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 8BO-Amp To Be Published.