6E59: Human NK1 tachykinin receptor

Crystal structure of the human NK1 tachykinin receptor. Determined by X-ray diffraction at 3.4 Å resolution. Released 12 Dec 2018.

Method: X-ray diffraction
Resolution: 3.4 Å
Organisms: Homo sapiens, Pyrococcus abyssi (strain GE5 / Orsay)
Chains: 1
Atoms: 3,884
Mol. weight: 62.45 kDa
Ligands: L76
Released: 12 Dec 2018

Explore 6E59 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6E59 contains 24 α-helices and 10 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 24 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	34-59	26
α-helix	66-75	10
α-helix	76-81	6
α-helix	82-93	12
α-helix	104-135	32
α-helix	144-166	23
β-strand	170-173	4	1
β-strand	178-181	4	1
α-helix	189-201	13
α-helix	202-206	5
α-helix	207-224	18
α-helix	1009-1011	3
α-helix	1016-1026	11
β-strand	1033-1038	6	2
β-strand	1041	1	3
α-helix	1048-1059	12
α-helix	1062-1066	5
β-strand	1067-1072	6	2
β-strand	1075	1	3
α-helix	1077-1089	13
β-strand	1093-1096	4	2
α-helix	1102-1109	8
β-strand	1114-1117	4	2
α-helix	1126-1133	8
β-strand	1137-1141	5	2
α-helix	1145-1149	5
β-strand	1156-1158	3	2
α-helix	1163-1176	14
α-helix	1182-260	38
α-helix	262-269	8
α-helix	284-296	13
α-helix	297-299	3
α-helix	301-308	8
α-helix	310-318	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Substance-P receptor, GlgA glycogen synthase, Substance-P receptor chimera	A	protein	542	Homo sapiens, Pyrococcus abyssi (strain GE5 / Orsay)	P25103 (AlphaFold model), Q9V2J8 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6E59_1 Substance-P receptor, GlgA glycogen synthase, Substance-P receptor chimera (chains A)
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEGIDCSFWNESYLT
GSRDERKKSLLSKFGMDEGVTFMFIGRFDRGQKGVDVLLKAIEILSSKKEFQEMRFIIIG
KGDPELEGWARSLEEKHGNVKVITEMLSREFVRELYGSVDFVIIPSYFEPFGLVALEAMC
LGAIPIASAVGGLRDIITNETGILVKAGDPGELANAILKALELSRSDLSKFRENCKKRAM
SFSEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLA
MSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGHHHHHHHH
HH

Ligands and cofactors

ID	Name	Formula	Copies
L76	1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophe…	C26 H28 F7 N5 O2	1

Primary citation

Crystal structure of the human NK1tachykinin receptor. Yin, J., Chapman, K., Clark, L.D. et al. Proc Natl Acad Sci U S A (2018) 115:13264-13269. DOI 10.1073/pnas.1812717115 · PubMed

Other PDB entries of the same protein (UniProt P25103 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6HLP 2.2 Å, Crystal structure of the Neurokinin 1 receptor in complex with the small molecule…
6HLO 2.4 Å, Crystal structure of the Neurokinin 1 receptor in complex with the small molecule…
8U26 2.5 Å, Gaussian Mixture Models based single particle refinement - GPCR (Substance P bound to…
6J20 2.7 Å, Crystal structure of the human NK1 substance P receptor
7P00 2.71 Å, Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex
7P02 2.87 Å, Human Neurokinin 1 receptor (NK1R) substance P Gs complex
7RMG 3.0 Å, Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70
7RMH 3.1 Å, Substance P bound to active human neurokinin 1 receptor in complex with miniGs399
6J21 3.2 Å, Crystal structure of the human NK1 substance P receptor
7RMI 3.2 Å, SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with…
6HLL 3.27 Å, Crystal structure of the Neurokinin 1 receptor in complex with the small molecule…
2KS9 Solution conformation of substance P in water complexed with NK1R

Browse structure collections

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