6NWC
PYL10 bound to the ABA pan-agonist 3CB
Summary for 6NWC
| Entry DOI | 10.2210/pdb6nwc/pdb |
| Descriptor | Abscisic acid receptor PYL10, 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid (3 entities in total) |
| Functional Keywords | pyr/pyl/rcar, pyl10, hormone receptor, plant protein |
| Biological source | Arabidopsis thaliana (Mouse-ear cress) |
| Total number of polymer chains | 1 |
| Total formula weight | 17573.07 |
| Authors | Peterson, F.C.,Vaidya, A.,Jensen, D.R.,Volkman, B.F.,Cutler, S.R. (deposition date: 2019-02-06, release date: 2019-11-06, Last modification date: 2023-10-11) |
| Primary citation | Vaidya, A.S.,Helander, J.D.M.,Peterson, F.C.,Elzinga, D.,Dejonghe, W.,Kaundal, A.,Park, S.Y.,Xing, Z.,Mega, R.,Takeuchi, J.,Khanderahoo, B.,Bishay, S.,Volkman, B.F.,Todoroki, Y.,Okamoto, M.,Cutler, S.R. Dynamic control of plant water use using designed ABA receptor agonists. Science, 366:-, 2019 Cited by PubMed Abstract: Drought causes crop losses worldwide, and its impact is expected to increase as the world warms. This has motivated the development of small-molecule tools for mitigating the effects of drought on agriculture. We show here that current leads are limited by poor bioactivity in wheat, a widely grown staple crop, and in tomato. To address this limitation, we combined virtual screening, x-ray crystallography, and structure-guided design to develop opabactin (OP), an abscisic acid (ABA) mimic with up to an approximately sevenfold increase in receptor affinity relative to ABA and up to 10-fold greater activity in vivo. Studies in reveal a role of the type III receptor for the antitranspirant efficacy of OP. Thus, virtual screening and structure-guided optimization yielded newly discovered agonists for manipulating crop abiotic stress tolerance and water use. PubMed: 31649167DOI: 10.1126/science.aaw8848 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.35 Å) |
Structure validation
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