Bromine in PDB 3oji: X-Ray Crystal Structure of the PY13 -Pyrabactin Complex

The structure of X-Ray Crystal Structure of the PY13 -Pyrabactin Complex, PDB code: 3oji was solved by X.Zhang, Q.Zhang, G.Wang, Z.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.28 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.632, 67.538, 109.080, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.4

The binding sites of Bromine atom in the X-Ray Crystal Structure of the PY13 -Pyrabactin Complex (pdb code 3oji). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the X-Ray Crystal Structure of the PY13 -Pyrabactin Complex, PDB code: 3oji:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the X-Ray Crystal Structure of the PY13 -Pyrabactin Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Crystal Structure of the PY13 -Pyrabactin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br210 b:40.5 occ:1.00 BR A:PYV210 0.0 40.5 1.0 C1 A:PYV210 1.9 35.3 1.0 C6 A:PYV210 2.8 34.3 1.0 C2 A:PYV210 2.9 34.2 1.0 C10 A:PYV210 3.1 33.8 1.0 CD1 A:LEU141 3.5 19.0 1.0 CE2 A:PHE188 3.6 16.2 1.0 C5 A:PYV210 4.1 33.1 1.0 C3 A:PYV210 4.2 33.1 1.0 CG A:PRO112 4.2 16.6 1.0 CB A:ALA113 4.3 15.5 1.0 CZ A:PHE188 4.4 16.3 1.0 C9 A:PYV210 4.5 33.1 1.0 CD A:PRO112 4.5 16.0 1.0 CD2 A:PHE188 4.6 15.6 1.0 CG2 A:VAL192 4.6 12.3 1.0 C4 A:PYV210 4.6 32.4 1.0 CD2 A:LEU111 4.7 16.0 0.5 C14 A:PYV210 4.7 30.7 1.0 O A:PRO112 4.7 16.7 1.0 C15 A:PYV210 4.8 30.1 1.0 CG A:LEU141 4.8 18.1 1.0 C A:PRO112 4.9 16.3 1.0 CB A:LEU141 4.9 16.9 1.0

Bromine binding site 2 out of 2 in the X-Ray Crystal Structure of the PY13 -Pyrabactin Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of X-Ray Crystal Structure of the PY13 -Pyrabactin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Br210 b:26.7 occ:1.00 BR B:PYV210 0.0 26.7 1.0 C1 B:PYV210 1.9 21.2 1.0 C6 B:PYV210 2.8 20.1 1.0 C2 B:PYV210 2.9 19.9 1.0 C10 B:PYV210 3.1 19.5 1.0 CD1 B:LEU141 3.4 20.6 1.0 CE2 B:PHE188 3.8 18.3 1.0 C5 B:PYV210 4.1 19.4 1.0 C3 B:PYV210 4.2 19.6 1.0 CG B:PRO112 4.2 23.1 1.0 CG2 B:VAL192 4.3 11.6 1.0 C15 B:PYV210 4.5 21.0 1.0 C9 B:PYV210 4.5 18.7 1.0 CD2 B:PHE188 4.5 17.8 1.0 C14 B:PYV210 4.6 19.7 1.0 CD B:PRO112 4.6 22.7 1.0 C4 B:PYV210 4.7 18.9 1.0 CZ B:PHE188 4.7 18.9 1.0 O B:PRO112 4.7 23.2 1.0 CB B:ALA113 4.8 20.7 1.0 CG B:LEU141 4.8 19.8 1.0 CB B:VAL192 4.9 11.5 1.0 CG1 B:VAL192 4.9 11.3 1.0

X.Zhang, Q.Zhang, Q.Xin, L.Yu, Z.Wang, W.Wu, L.Jiang, G.Wang, W.Tian, Z.Deng, Y.Wang, Z.Liu, J.Long, Z.Gong, Z.Chen. Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal A Unique Regulatory Mechanism Structure V. 20 780 2012.
ISSN: ISSN 0969-2126
PubMed: 22579247
DOI: 10.1016/J.STR.2012.02.019