6J21

Crystal structure of the human NK1 substance P receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Substance-P receptor,Endolysin	polymer	441	50428.8	1	UniProt (P25103) UniProt (D9IEF7) Pfam (PF00001) Pfam (PF00959) UniProt (by SIFTS) (P00720) In PDB	Homo sapiens (Human)	SPR,NK-1 receptor,NK-1R,Tachykinin receptor 1,Lysis protein,Lysozyme,Muramidase
2	A	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	non-polymer		534.4	1	Chemie (GBQ)
3	A	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)

Sequence modifications

A: 2 - 226 (UniProt: P25103)

PDB	External Database	Details
Asp 78	Glu 78	engineered mutation
Trp 121	Tyr 121	engineered mutation
Ala 165	Gln 165	engineered mutation
Arg 222	Thr 222	engineered mutation

A: 1001 - 1010 (UniProt: D9IEF7)
A: 1017 - 1117 (UniProt: D9IEF7)

PDB	External Database	Details
Gly 1011	-	linker
Gly 1012	-	linker
Gly 1013	-	linker
Ser 1014	-	linker
Gly 1015	-	linker
Gly 1016	-	linker
Ala 1053	Cys 97	engineered mutation

A: 237 - 335 (UniProt: P25103)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50428.8
Non-Polymers*	Number of molecules	2
	Total formula weight	891.0
All*	Total formula weight	51319.7

*Water molecules are not included.