Bromine in PDB 1x84: Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp

All present enzymatic activity of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp:
5.3.3.2;

The structure of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x84 was solved by J.Wouters, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.090, 71.880, 92.730, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.2

The structure of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Manganese	(Mn)	2 atoms

The binding sites of Bromine atom in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp (pdb code 1x84). 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 Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x84:

Bromine binding site 1 out of 1 in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:26.6 occ:0.28 BR1 A:SBH301 0.0 26.6 0.3 C5 A:SBH301 1.9 32.0 0.3 C4 A:SBH301 2.8 25.3 0.7 C3 A:SBH301 2.9 30.1 0.3 O8 A:SBH301 2.9 9.0 0.3 CE3 A:TRP58 3.5 21.1 1.0 C4 A:SBH301 3.8 26.0 0.3 CG A:GLU114 4.0 18.6 1.0 CZ3 A:TRP58 4.0 20.8 1.0 CZ A:ARG51 4.1 20.9 1.0 O5 A:SBH301 4.1 20.7 0.7 C1 A:SBH301 4.1 26.9 0.3 C2 A:SBH301 4.2 29.9 0.3 NH2 A:ARG51 4.2 16.6 1.0 C3 A:SBH301 4.2 33.9 0.7 CD2 A:TRP58 4.3 19.1 1.0 NH1 A:ARG51 4.3 15.4 1.0 CB A:ALA57 4.4 17.7 1.0 OE1 A:GLU114 4.4 21.4 1.0 NE A:ARG51 4.5 16.2 1.0 O8 A:SBH301 4.5 50.9 0.7 CB A:TRP58 4.5 15.3 1.0 CD1 A:TRP161 4.7 55.5 1.0 O A:ALA57 4.7 23.2 1.0 NE1 A:TRP161 4.7 54.8 1.0 CB A:GLU114 4.7 22.0 1.0 CG A:TRP58 4.7 17.7 1.0 CD A:GLU114 4.7 25.2 1.0 O A:HOH8009 4.7 23.0 1.0 O5 A:SBH301 4.8 23.7 0.3 O7 A:SBH301 4.8 22.1 0.7 C A:ALA57 4.9 23.6 1.0 C1 A:SBH301 4.9 27.8 0.7 P2 A:SBH301 5.0 19.9 0.7

J.Wouters, F.Yin, Y.Song, Y.Zhang, Y.Oudjama, V.Stalon, L.Droogmans, C.T.Morita, E.Oldfield. A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc. V. 127 536 2005.
ISSN: ISSN 0002-7863
PubMed: 15643873
DOI: 10.1021/JA040207I