Bromine in PDB 5yz7: Crystal Structure of OSD14 in Complex with D-Ring-Opened 7'-Carba-4BD

The structure of Crystal Structure of OSD14 in Complex with D-Ring-Opened 7'-Carba-4BD, PDB code: 5yz7 was solved by K.Hirabayashi, K.Jiang, Y.Xu, T.Miyakawa, T.Asami, M.Tanokura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.54 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.501, 88.795, 118.600, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 22.7

The binding sites of Bromine atom in the Crystal Structure of OSD14 in Complex with D-Ring-Opened 7'-Carba-4BD (pdb code 5yz7). 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 OSD14 in Complex with D-Ring-Opened 7'-Carba-4BD, PDB code: 5yz7:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of OSD14 in Complex with D-Ring-Opened 7'-Carba-4BD


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 OSD14 in Complex with D-Ring-Opened 7'-Carba-4BD within 5.0Å range: probe atom residue distance (Å) B Occ A:Br500 b:96.0 occ:1.00 BR1 A:94X500 0.0 96.0 1.0 C02 A:94X500 1.9 40.4 1.0 C05 A:94X500 2.9 37.2 1.0 C03 A:94X500 2.9 30.5 1.0 C04 A:94X500 4.2 39.5 1.0 C06 A:94X500 4.2 40.8 1.0 CE1 A:PHE186 4.2 25.3 1.0 CG2 A:VAL269 4.4 27.7 1.0 CZ A:PHE186 4.5 27.6 1.0 C07 A:94X500 4.7 41.2 1.0 CG2 A:VAL194 4.8 19.5 1.0 O A:HOH699 4.8 24.7 1.0 O A:HOH783 5.0 13.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of OSD14 in Complex with D-Ring-Opened 7'-Carba-4BD


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 OSD14 in Complex with D-Ring-Opened 7'-Carba-4BD within 5.0Å range: probe atom residue distance (Å) B Occ B:Br500 b:0.9 occ:1.00 BR1 B:94X500 0.0 0.9 1.0 C02 B:94X500 2.0 46.0 1.0 C03 B:94X500 2.9 31.1 1.0 C05 B:94X500 2.9 39.2 1.0 O B:HOH791 4.1 34.9 1.0 C04 B:94X500 4.2 37.4 1.0 C06 B:94X500 4.2 43.8 1.0 CG2 B:VAL269 4.4 23.2 1.0 CE1 B:PHE186 4.5 32.9 1.0 CD1 B:TYR209 4.5 23.8 1.0 CE1 B:TYR209 4.6 25.8 1.0 C07 B:94X500 4.7 44.1 1.0 CG2 B:VAL194 4.8 33.5 1.0 CZ B:PHE186 4.8 33.0 1.0 CD1 B:LEU212 5.0 20.5 1.0

J.Takeuchi, K.Jiang, K.Hirabayashi, Y.Imamura, Y.Wu, Y.Xu, T.Miyakawa, H.Nakamura, M.Tanokura, T.Asami. Rationally Designed Strigolactone Analogs As Antagonists of the D14 Receptor. Plant Cell Physiol. V. 59 1545 2018.
ISSN: ESSN 1471-9053
PubMed: 29727000
DOI: 10.1093/PCP/PCY087