Bromine in PDB 3stv: Crystal Structure of Tomato Methylketone Synthase I Complexed with 3- Hydroxyoctanoate

The structure of Crystal Structure of Tomato Methylketone Synthase I Complexed with 3- Hydroxyoctanoate, PDB code: 3stv was solved by M.E.Auldridge, M.B.Austin, J.P.Noel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.60 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.038, 92.380, 60.596, 90.00, 97.56, 90.00
R / Rfree (%)	20.2 / 23.6

The binding sites of Bromine atom in the Crystal Structure of Tomato Methylketone Synthase I Complexed with 3- Hydroxyoctanoate (pdb code 3stv). 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 Crystal Structure of Tomato Methylketone Synthase I Complexed with 3- Hydroxyoctanoate, PDB code: 3stv:

Bromine binding site 1 out of 1 in the Crystal Structure of Tomato Methylketone Synthase I Complexed with 3- Hydroxyoctanoate


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 Tomato Methylketone Synthase I Complexed with 3- Hydroxyoctanoate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br266 b:93.9 occ:1.00 O B:HOH352 3.4 24.8 1.0 OG1 B:THR18 3.4 14.9 1.0 NE2 B:HIS243 3.4 22.9 1.0 CB B:ALA87 3.9 14.5 1.0 CD2 B:HIS243 4.2 20.5 1.0 CG2 B:THR18 4.2 10.6 1.0 CE1 B:HIS243 4.4 21.7 1.0 CB B:THR18 4.4 16.6 1.0 CB B:ALA19 4.6 15.6 1.0 CG2 B:VAL132 4.8 40.8 1.0 N B:ALA19 4.8 16.3 1.0 N B:LEU88 4.8 14.7 1.0

M.E.Auldridge, Y.Guo, M.B.Austin, J.Ramsey, E.Fridman, E.Pichersky, J.P.Noel. Emergent Decarboxylase Activity and Attenuation of Alpha/Beta-Hydrolase Activity During the Evolution of Methylketone Biosynthesis in Tomato. Plant Cell V. 24 1596 2012.
ISSN: ISSN 1040-4651
PubMed: 22523203
DOI: 10.1105/TPC.111.093997