Bromine in PDB 3nef: High-Resolution Pyrabactin-Bound PYL1 Structure

All present enzymatic activity of High-Resolution Pyrabactin-Bound PYL1 Structure:
3.1.3.16;

The structure of High-Resolution Pyrabactin-Bound PYL1 Structure, PDB code: 3nef was solved by N.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.62 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	128.570, 128.570, 87.240, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.3

The binding sites of Bromine atom in the High-Resolution Pyrabactin-Bound PYL1 Structure (pdb code 3nef). 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 High-Resolution Pyrabactin-Bound PYL1 Structure, PDB code: 3nef:

Bromine binding site 1 out of 1 in the High-Resolution Pyrabactin-Bound PYL1 Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of High-Resolution Pyrabactin-Bound PYL1 Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:84.0 occ:0.94 BR A:PYV201 0.0 84.0 0.9 C1 A:PYV201 1.9 33.8 0.9 C6 A:PYV201 2.8 33.4 0.9 C2 A:PYV201 3.0 32.2 0.9 C10 A:PYV201 3.2 34.6 0.9 CG2 A:VAL172 3.9 35.1 1.0 CD1 A:LEU93 4.0 34.1 1.0 C5 A:PYV201 4.2 33.1 0.9 CZ A:PHE168 4.2 39.6 1.0 CE1 A:PHE168 4.2 40.9 1.0 C3 A:PYV201 4.3 31.2 0.9 C9 A:PYV201 4.6 35.1 0.9 CG1 A:VAL89 4.8 40.7 1.0 C4 A:PYV201 4.8 30.6 0.9 CB A:ALA95 4.8 38.9 1.0 CD2 A:PHE67 4.8 40.9 1.0 CB A:LEU93 4.9 45.1 1.0 CB A:PHE67 5.0 36.6 1.0

Q.Hao, P.Yin, C.Yan, X.Yuan, W.Li, Z.Zhang, L.Liu, J.Wang, N.Yan. Functional Mechanism of the Aba Agonist Pyrabactin J.Biol.Chem. V. 285 28946 2010.
ISSN: ISSN 0021-9258
PubMed: 20554531
DOI: 10.1074/JBC.M110.149005