Bromine in PDB 4dma: Crystal Structure of Era Lbd in Complex with RU100132

All present enzymatic activity of Crystal Structure of Era Lbd in Complex with RU100132:
2.3.1.48;

The structure of Crystal Structure of Era Lbd in Complex with RU100132, PDB code: 4dma was solved by J.Osz, Y.Brelivet, C.Peluso-Iltis, V.Cura, S.Eiler, M.Ruff, W.Bourguet, N.Rochel, D.Moras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.282, 81.788, 58.303, 90.00, 111.17, 90.00
R / Rfree (%)	20.5 / 25.1

The binding sites of Bromine atom in the Crystal Structure of Era Lbd in Complex with RU100132 (pdb code 4dma). 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 Era Lbd in Complex with RU100132, PDB code: 4dma:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Era Lbd in Complex with RU100132


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 Era Lbd in Complex with RU100132 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br701 b:75.8 occ:1.00 BR1 A:0L8701 0.0 75.8 1.0 C3 A:0L8701 1.9 58.0 1.0 C2 A:0L8701 2.7 58.1 1.0 C4 A:0L8701 3.0 52.9 1.0 C7 A:0L8701 3.5 45.8 1.0 CD1 A:LEU428 3.6 15.5 1.0 C8 A:0L8701 3.7 42.7 1.0 CZ A:PHE404 3.8 21.0 1.0 CE1 A:PHE404 3.8 19.6 1.0 C1 A:0L8701 4.1 55.7 1.0 C5 A:0L8701 4.3 53.2 1.0 CE A:MET388 4.3 17.8 1.0 CD2 A:LEU391 4.4 12.5 1.0 CG2 A:ILE424 4.5 24.3 1.0 CE1 A:PHE425 4.5 31.8 1.0 C12 A:0L8701 4.6 41.9 1.0 C6 A:0L8701 4.7 54.9 1.0 SD A:MET421 4.7 38.8 1.0 CD1 A:LEU346 4.8 31.7 1.0 C9 A:0L8701 4.8 38.8 1.0 CD1 A:PHE425 4.9 32.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Era Lbd in Complex with RU100132


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 Era Lbd in Complex with RU100132 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1701 b:74.8 occ:1.00 BR1 B:0L81701 0.0 74.8 1.0 C3 B:0L81701 1.9 58.3 1.0 C2 B:0L81701 2.8 58.3 1.0 C4 B:0L81701 3.0 53.0 1.0 C7 B:0L81701 3.4 47.0 1.0 CD1 B:LEU1428 3.5 14.7 1.0 C8 B:0L81701 3.6 44.3 1.0 CE1 B:PHE1404 3.9 20.8 1.0 CE B:MET1388 4.0 23.5 1.0 CD2 B:LEU1391 4.0 13.7 1.0 C1 B:0L81701 4.1 55.6 1.0 CZ B:PHE1404 4.1 19.6 1.0 C5 B:0L81701 4.3 51.9 1.0 C12 B:0L81701 4.4 44.6 1.0 CG2 B:ILE1424 4.7 23.3 1.0 C6 B:0L81701 4.7 54.6 1.0 C9 B:0L81701 4.7 42.0 1.0 CG B:LEU1428 4.8 16.8 1.0 CE B:MET1421 4.9 40.0 1.0 CE1 B:PHE1425 4.9 25.2 1.0 SD B:MET1421 5.0 43.9 1.0

J.Osz, Y.Brelivet, C.Peluso-Iltis, V.Cura, S.Eiler, M.Ruff, W.Bourguet, N.Rochel, D.Moras. Structural Basis For A Molecular Allosteric Control Mechanism of Cofactor Binding to Nuclear Receptors. Proc.Natl.Acad.Sci.Usa V. 109 E588 2012.
ISSN: ISSN 0027-8424
PubMed: 22355136
DOI: 10.1073/PNAS.1118192109