Crystal structure of the human NK1 substance P receptor

Summary for 6J20

DescriptorSubstance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one (2 entities in total)
Functional Keywordsgpcr, complex, antagonist, signalling protein, membrane protein
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight51019.27
Chen, S.,Lu, M.,Zhang, H.,Wu, B.,Zhao, Q. (deposition date: 2018-12-30, release date: 2019-03-06)
Primary citation
Chen, S.,Lu, M.,Liu, D.,Yang, L.,Yi, C.,Ma, L.,Zhang, H.,Liu, Q.,Frimurer, T.M.,Wang, M.W.,Schwartz, T.W.,Stevens, R.C.,Wu, B.,Wuthrich, K.,Zhao, Q.
Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10:638-638, 2019
PubMed: 30733446 (PDB entries with the same primary citation)
DOI: 10.1038/s41467-019-08568-5
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.28120 6.8% 8.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution