6J21

Crystal structure of the human NK1 substance P receptor

Summary for 6J21

• Entry DOI: 10.2210/pdb6j21/pdb
• Descriptor: Substance-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, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate (3 entities in total)
• Functional Keywords: gpcr, complex, antagonist, signalling protein, membrane protein
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 51319.75

Authors

Chen, S.,Lu, M.,Zhang, H.,Wu, B.,Zhao, Q. (deposition date: 2018-12-30, release date: 2019-03-06, Last modification date: 2023-11-22)

• 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; DOI: 10.1038/s41467-019-08568-5

Experimental method

X-RAY DIFFRACTION (3.2 Å)