6E3G

Structure of RORgt in complex with a novel agonist.

Summary for 6E3G

DescriptorNuclear receptor ROR-gamma, co-activator peptide, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywordsnuclear hormone receptor, agonist, nuclear protein, nuclear protein-agonist complex, nuclear protein/agonist
Biological sourceHomo sapiens (Human)
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Total number of polymer chains4
Total molecular weight60229.96
Authors
Skene, R.J.,Hoffman, I. (deposition date: 2018-07-13, release date: 2019-06-12)
Primary citation
Yukawa, T.,Nara, Y.,Kono, M.,Sato, A.,Oda, T.,Takagi, T.,Sato, T.,Banno, Y.,Taya, N.,Imada, T.,Shiokawa, Z.,Negoro, N.,Kawamoto, T.,Koyama, R.,Uchiyama, N.,Skene, R.,Hoffman, I.,Chen, C.H.,Sang, B.,Snell, G.,Katsuyama, R.,Yamamoto, S.,Shirai, J.
Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62:1167-1179, 2019
PubMed: 30652849 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b01181
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24350 5.3% 1.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution