Bromine in PDB 5zcu: Crystal Structure of RCAR3:PP2C Wild-Type with Pyrabactin

All present enzymatic activity of Crystal Structure of RCAR3:PP2C Wild-Type with Pyrabactin:
3.1.3.16;

The structure of Crystal Structure of RCAR3:PP2C Wild-Type with Pyrabactin, PDB code: 5zcu was solved by S.Han, Y.Lee, S.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.50 / 2.41
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	75.036, 134.577, 190.267, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25

The structure of Crystal Structure of RCAR3:PP2C Wild-Type with Pyrabactin also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Bromine atom in the Crystal Structure of RCAR3:PP2C Wild-Type with Pyrabactin (pdb code 5zcu). 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 RCAR3:PP2C Wild-Type with Pyrabactin, PDB code: 5zcu:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of RCAR3:PP2C Wild-Type with Pyrabactin


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 RCAR3:PP2C Wild-Type with Pyrabactin within 5.0Å range: probe atom residue distance (Å) B Occ C:Br301 b:66.4 occ:1.00 BR C:PYV301 0.0 66.4 1.0 C1 C:PYV301 1.9 60.1 1.0 C6 C:PYV301 2.8 55.6 1.0 C2 C:PYV301 3.0 57.5 1.0 C10 C:PYV301 3.3 58.8 1.0 CD C:PRO103 3.6 39.3 1.0 CB C:ALA104 4.0 34.5 1.0 CD1 C:LEU178 4.0 25.1 1.0 N C:ALA104 4.0 31.4 1.0 C5 C:PYV301 4.1 53.9 1.0 CB C:LEU102 4.2 36.4 1.0 C3 C:PYV301 4.3 56.0 1.0 CG C:PRO103 4.3 38.8 1.0 CZ C:PHE174 4.3 25.3 1.0 N C:PRO103 4.4 42.6 1.0 CD2 C:LEU102 4.5 41.9 1.0 CA C:ALA104 4.6 32.8 1.0 CG C:LEU102 4.7 40.8 1.0 CD1 C:LEU102 4.7 39.7 1.0 C9 C:PYV301 4.7 60.2 1.0 C4 C:PYV301 4.7 51.0 1.0 CB C:PRO103 4.9 37.5 1.0 CE1 C:PHE174 4.9 27.2 1.0 C C:PRO103 4.9 33.2 1.0 CA C:PRO103 5.0 38.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of RCAR3:PP2C Wild-Type with Pyrabactin


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 RCAR3:PP2C Wild-Type with Pyrabactin within 5.0Å range: probe atom residue distance (Å) B Occ D:Br301 b:72.8 occ:1.00 BR D:PYV301 0.0 72.8 1.0 C1 D:PYV301 1.9 60.6 1.0 C6 D:PYV301 2.8 50.5 1.0 C2 D:PYV301 3.0 58.0 1.0 C10 D:PYV301 3.3 58.4 1.0 CD D:PRO103 3.7 38.0 1.0 CD1 D:LEU178 4.0 35.8 1.0 CB D:LEU102 4.1 37.9 1.0 N D:ALA104 4.1 40.1 1.0 C5 D:PYV301 4.1 47.6 1.0 CB D:ALA104 4.1 50.3 1.0 CZ D:PHE174 4.2 38.7 1.0 C3 D:PYV301 4.2 54.3 1.0 N D:PRO103 4.4 43.9 1.0 CG D:PRO103 4.4 40.2 1.0 O B:HOH541 4.4 35.1 1.0 CD2 D:LEU102 4.5 37.8 1.0 CD1 D:LEU102 4.6 40.9 1.0 CG D:LEU102 4.6 39.3 1.0 C9 D:PYV301 4.7 57.9 1.0 CA D:ALA104 4.7 45.3 1.0 C4 D:PYV301 4.7 51.9 1.0 CE1 D:PHE174 4.9 38.2 1.0 CB D:PRO103 4.9 39.7 1.0 CA D:LEU102 5.0 44.9 1.0 C D:PRO103 5.0 41.2 1.0

S.Han, Y.Lee, E.J.Park, M.K.Min, Y.Lee, T.H.Kim, B.G.Kim, S.Lee. Structural Determinants For Pyrabactin Recognition in Aba Receptors in Oryza Sativa. Plant Mol.Biol. V. 100 319 2019.
ISSN: ISSN 0167-4412
PubMed: 30941543
DOI: 10.1007/S11103-019-00862-6