6wgt

Crystal structure of HTR2A with hallucinogenic agonist

Method: X-RAY DIFFRACTION

▼

1. Protein Identity and Related Structures Protein Identity & Related Structures

5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion

Homo sapiens

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Insufficient information	Monomer	Protein 1	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 CHOLESTEROL × 2 OLEIC ACID × 2 DI(HYDROXYETHYL)ETHER × 1	Consistent with protein count
2	Insufficient information	Monomer	Protein 1	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 OLEIC ACID × 1 PHOSPHATE ION × 2	Consistent with protein count
3	Insufficient information	Monomer	Protein 1	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 DI(HYDROXYETHYL)ETHER × 1 PHOSPHATE ION × 1 PENTAETHYLENE GLYCOL × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	C562_ECOLX
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 227–332； UniProt 23–128 Author chain B； PDBConstruct 227–332； UniProt 23–128 Author chain C； PDBConstruct 227–332； UniProt 23–128

5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion

Homo sapiens

UniProt P28223

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Insufficient information	Monomer	Protein 1	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 CHOLESTEROL × 2 OLEIC ACID × 2 DI(HYDROXYETHYL)ETHER × 1	Consistent with protein count
2	Insufficient information	Monomer	Protein 1	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 OLEIC ACID × 1 PHOSPHATE ION × 2	Consistent with protein count
3	Insufficient information	Monomer	Protein 1	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 DI(HYDROXYETHYL)ETHER × 1 PHOSPHATE ION × 1 PENTAETHYLENE GLYCOL × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	5HT2A_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 27–226； UniProt 66–265 Author chain A； PDBConstruct 333–427； UniProt 311–405 Author chain B； PDBConstruct 27–226； UniProt 66–265 Author chain B； PDBConstruct 333–427； UniProt 311–405 Author chain C； PDBConstruct 27–226； UniProt 66–265 Author chain C； PDBConstruct 333–427； UniProt 311–405

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	6wgt
Deposition date deposition_date	2020-04-06
Structure title title	Crystal structure of HTR2A with hallucinogenic agonist
Keywords keywords	HTR2A, MEMBRANE PROTEIN; MEMBRANE PROTEIN
Experimental Method method	X-RAY DIFFRACTION

▼

3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

6wgt__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

6wgt__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

6wgt__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	27.17 Å
Rg (electron density)	26.59 Å
Total Rg	27.04 Å
Atom count	2816
Residues	377
Excluded volume	51453 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`6wgt__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`6wgt__assembly_2__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`6wgt__assembly_3__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download

▶

4. Crystallography and Experiment 4. Crystallography & Experiment

▶

5. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Description description	5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion
Molecular weight formula_weight	50534.9 kDa
Source method src_method	man
Copy count entity_count	3

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C
Atom count atom_count	8100

MKTIIALSYIFCLVFADYKDDDDGAPLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPATIMVITYFLTIKSLQKEAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYASSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPGRPLEVLFQGPHHHHHHHHHH

Source Source

Source organism organism	Homo sapiens
Common name common_name	Human
NCBI taxonomy ID ncbi_taxonomy_id	9606
Host organism host_organism	Spodoptera frugiperda

Entity 2 Entity 2 non-polymer

Description description	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
Molecular weight formula_weight	323.4 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 3 Entity 3 non-polymer

Description description	CHOLESTEROL
Molecular weight formula_weight	386.7 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	OLEIC ACID
Molecular weight formula_weight	282.5 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 5 Entity 5 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 7 Entity 7 non-polymer

Description description	PENTAETHYLENE GLYCOL
Molecular weight formula_weight	238.3 kDa
Source method src_method	syn
Copy count entity_count	1

▶

Unit-cell length a length_a	81.640 Å
Unit-cell length b length_b	175.260 Å
Unit-cell length c length_c	280.670 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	24

Space group space_group	C 2 2 21
Space-group number int_tables_number	20
Crystal system crystal_system	orthorhombic

Resolution resolution	3.400 Å
Low-resolution limit resolution_low	34.540 Å
R factor r_factor	0.2669
R_work r_work	0.2648
R_free r_free	0.3054

Crystal structure of HTR2A with hallucinogenic agonist

1. Protein Identity and Related Structures Protein Identity & Related Structures

5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion

State in the Current Structure

Other States of the Same Protein in the Database

5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

6wgt__assembly_1__model_1

6wgt__assembly_1__model_1 | I(q)

6wgt__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

7. Citations (1)

Crystal structure of HTR2A with hallucinogenic agonist

1. Protein Identity and Related Structures Protein Identity & Related Structures

5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

6wgt__assembly_1__model_1

6wgt__assembly_1__model_1 | I(q)

6wgt__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

7. Citations (1)