7PP1: P2Y12 receptor

Crystal structure of the P2Y12 receptor in complex with the inverse agonist selatogrel. Determined by X-ray diffraction at 2.78 Å resolution. Released 2 Nov 2022.

Method: X-ray diffraction
Resolution: 2.78 Å
Organisms: Homo sapiens, Escherichia coli
Chains: 1
Atoms: 2,909
Mol. weight: 54.25 kDa
Ligands: 7Y5, CLR
Released: 2 Nov 2022

Explore 7PP1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7PP1 contains 21 α-helices and 0 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 AAA: 21 helices, 0 β-strands

Element	Residues	Length
α-helix	21-22	2
α-helix	23-27	5
α-helix	28-50	23
α-helix	58-74	17
α-helix	77-84	8
α-helix	95-124	30
α-helix	140-161	22
α-helix	183-1018	59
α-helix	1023-1042	20
α-helix	1045-1047	3
α-helix	1063-1081	19
α-helix	1084-1092	9
α-helix	1093-1095	3
α-helix	1097-227	14
α-helix	235-238	4
α-helix	240-248	9
α-helix	250-254	5
α-helix	258-261	4
α-helix	270-288	19
α-helix	290-301	12
α-helix	303-311	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12	AAA	protein	466	Homo sapiens, Escherichia coli	P0ABE7 (AlphaFold model), Q9H244 (AlphaFold model)

Sequence of entity 1 (AAA), FASTA

>7PP1_1 P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12 (chains AAA)
DYKDDDDGAPQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFF
QIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYIS
ISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKN
VKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTADLEDNWE
TLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDIL
VGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLRGVGKVPRKKVNVKVFIIIAVF
FICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLNPFIYFFLCKSF
RNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPMGRPLEVLFQ

Ligands and cofactors

ID	Name	Formula	Copies
7Y5	Selatogrel	C28 H39 N6 O8 P	1
CLR	Cholesterol	C27 H46 O	1

Primary citation

Inverse agonist efficacy of selatogrel blunts constitutive P2Y12 receptor signaling by inducing the inactive receptor conformation. Pons, V., Garcia, C., Tidten-Luksch, N. et al. Biochem Pharmacol (2022) 206:115291-115291. DOI 10.1016/j.bcp.2022.115291 · PubMed

Other PDB entries of the same protein (UniProt P0ABE7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6DYF 1.1 Å, Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y
5YO6 1.2 Å, Crystal Structure of B562RIL with engineered disulfide bond T9C-A36C
4JEA 1.22 Å, Crystal structure of an engineered Zn-RIDC1 construct with four interfacial disulfide…
7LSJ 1.26 Å, Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A,…
7MK4 1.27 Å, Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2
6DYC 1.33 Å, Co(II)-bound structure of the engineered cyt cb562 variant, CH3
5YO4 1.37 Å, Crystal Structure of B562RIL with engineered disulfide bond K27C-A79C
256B 1.4 Å, Improvement of the 2.5 Å resolution model of cytochrome B562 by redetermining the…
6OT4 1.4 Å, Bimetallic dodecameric cage design 2 (BMC2) from cytochrome cb562
7LRV 1.4 Å, Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in…
9PQ4 1.48 Å, Bi-bound structure of the H77C variant of TriCyt2
6DYG 1.49 Å, Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y

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