Bromine in PDB 4h38: Structure of E. Coli Undecaprenyl Diphosphate Synthase in Complex with Bph-1297

All present enzymatic activity of Structure of E. Coli Undecaprenyl Diphosphate Synthase in Complex with Bph-1297:
2.5.1.31;

The structure of Structure of E. Coli Undecaprenyl Diphosphate Synthase in Complex with Bph-1297, PDB code: 4h38 was solved by W.Zhu, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.41 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.266, 68.824, 111.492, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 26.2

The binding sites of Bromine atom in the Structure of E. Coli Undecaprenyl Diphosphate Synthase in Complex with Bph-1297 (pdb code 4h38). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of E. Coli Undecaprenyl Diphosphate Synthase in Complex with Bph-1297, PDB code: 4h38:

Bromine binding site 1 out of 1 in the Structure of E. Coli Undecaprenyl Diphosphate Synthase in Complex with Bph-1297


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of E. Coli Undecaprenyl Diphosphate Synthase in Complex with Bph-1297 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:0.3 occ:1.00 BRE A:0YX301 0.0 0.3 1.0 CAW A:0YX301 1.9 88.9 1.0 CAL A:0YX301 2.7 87.6 1.0 CAI A:0YX301 2.9 74.2 1.0 NH2 A:ARG51 3.4 52.0 1.0 CG A:HIS103 4.0 46.5 1.0 CBA A:0YX301 4.1 90.2 1.0 CZ A:ARG51 4.1 50.6 1.0 CB A:HIS103 4.1 31.1 1.0 CAJ A:0YX301 4.2 64.3 1.0 CD2 A:HIS103 4.2 49.9 1.0 OG A:SER99 4.3 34.9 1.0 ND1 A:HIS103 4.3 49.0 1.0 OG A:SER55 4.5 28.8 1.0 NE A:ARG51 4.6 45.5 1.0 CAZ A:0YX301 4.7 71.4 1.0 NE2 A:HIS103 4.7 50.6 1.0 O A:SER99 4.7 18.9 1.0 CE1 A:HIS103 4.8 52.5 1.0 NH1 A:ARG51 4.8 48.6 1.0

W.Zhu, Y.Zhang, W.Sinko, M.E.Hensler, J.Olson, K.J.Molohon, S.Lindert, R.Cao, K.Li, K.Wang, Y.Wang, Y.L.Liu, A.Sankovsky, C.A.De Oliveira, D.A.Mitchell, V.Nizet, J.A.Mccammon, E.Oldfield. Antibacterial Drug Leads Targeting Isoprenoid Biosynthesis. Proc.Natl.Acad.Sci.Usa V. 110 123 2013.
ISSN: ISSN 0027-8424
PubMed: 23248302
DOI: 10.1073/PNAS.1219899110