6WGT: HTR2A with hallucinogenic agonist

Crystal structure of HTR2A with hallucinogenic agonist. Determined by X-ray diffraction at 3.4 Å resolution. Released 23 Sept 2020.

Method: X-ray diffraction
Resolution: 3.4 Å
Organisms: Homo sapiens, Escherichia coli
Chains: 3
Atoms: 8,100
Mol. weight: 154.93 kDa
Ligands: 7LD, PO4, OLA, CLR
Released: 23 Sept 2020

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

Secondary structure: helices and β-sheets

6WGT contains 56 α-helices and 6 β-strands across 3 chains. 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: 19 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	74-78	5
α-helix	80-101	22
α-helix	108-122	15
α-helix	123-127	5
α-helix	128-137	10
α-helix	145-147	3
α-helix	148-178	31
α-helix	190-207	18
α-helix	209-212	4
β-strand	222-223	2	1
β-strand	226-227	2	1
α-helix	232-239	8
α-helix	240-244	5
α-helix	245-1018	39
α-helix	1023-1043	21
α-helix	1055-1074	20
α-helix	1088-1091	4
α-helix	1098-348	47
α-helix	355-370	16
α-helix	375-383	9
α-helix	385-395	11

Chain B: 18 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	72-101	30
α-helix	103-105	3
α-helix	108-122	15
α-helix	123-127	5
α-helix	128-136	9
α-helix	147-178	32
α-helix	188-206	19
α-helix	209-215	7
β-strand	222-223	2	2
β-strand	226-227	2	2
α-helix	232-239	8
α-helix	240-244	5
α-helix	245-1018	39
α-helix	1023-1041	19
α-helix	1057-1074	18
α-helix	1088-1094	7
α-helix	1103-348	42
α-helix	355-370	16
α-helix	372-383	12
α-helix	385-395	11

Chain C: 19 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	70-101	32
α-helix	108-126	19
α-helix	128-136	9
α-helix	145-173	29
α-helix	185-207	23
α-helix	209-212	4
β-strand	222-223	2	3
β-strand	226-227	2	3
α-helix	232-239	8
α-helix	240-244	5
α-helix	245-1018	39
α-helix	1023-1042	20
α-helix	1055-1058	4
α-helix	1060-1064	5
α-helix	1067-1070	4
α-helix	1072-1076	5
α-helix	1084-1095	12
α-helix	1098-345	44
α-helix	355-370	16
α-helix	375-383	9
α-helix	385-394	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion	A, B, C	protein	448	Homo sapiens, Escherichia coli	P0ABE7 (AlphaFold model), P28223 (AlphaFold model)

Sequence of entity 1 (A, B, C), FASTA

>6WGT_1 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion (chains A, B, C)
MKTIIALSYIFCLVFADYKDDDDGAPLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAV
SLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFS
TASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDS
KVFKEGSCLLADDNFVLIGSFVSFFIPATIMVITYFLTIKSLQKEAADLEDNWETLNDNL
KVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDD
ALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLTMQSISNEQKACKVLGIVFFLFVVMWCP
FFITNIMAVICKESCNEDVIGALLNVFVWIGYASSAVNPLVYTLFNKTYRSAFSRYIQCQ
YKENKKPGRPLEVLFQGPHHHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
7LD	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide	C20 H25 N3 O	3
PO4	Phosphate ion	O4 P	3
OLA	Oleic acid	C18 H34 O2	3
CLR	Cholesterol	C27 H46 O	2

Water and common crystallization additives (1PE, PEG) are not listed.

Primary citation

Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor. Kim, K.L., Che, T., Panova, O. et al. Cell (2020) 182:1574-1588. DOI 10.1016/j.cell.2020.08.024

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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