7wc8

Crystal structure of serotonin 2A receptor in complex with lumateperone

Method: X-RAY DIFFRACTION D_max: 102.5 Å Quality: GOOD

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

5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 67–265 Chain A； UniProt 313–403	Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N	MG MAGNESIUM ION × 1 CLR CHOLESTEROL × 4 1PE PENTAETHYLENE GLYCOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 11 92S 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions：LIPIDIC CUBIC PHASE；pH 8；293.15 K；100 mM Tris-HCl, 160 mM Potassium fluoride, 30% (v/v) PEG400	Resolution 2.45 Å R-free 0.244

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 7WC8	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
6A93 Crystal structure of 5-HT2AR in complex with risperidone Deposited 2018-07-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 70–265（196 aa） Chain A 313–403（91 aa）	Mutation：S162K, M164W, R120I, H124I, R128G, M29W Mutation：S162K, M164W, R120I, H124I, R128G, M29W	8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one × 1 CLR CHOLESTEROL × 1 ZN ZINC ION × 1 1PE PENTAETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；100 mM MES, pH 6.0-6.5, 28-31% (v/v) PEG 400, 120-200 mM Am-formate, 1-2% (v/v) DMSO	Resolution 3.00 Å R-free 0.275
6A93 Crystal structure of 5-HT2AR in complex with risperidone Deposited 2018-07-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 70–265（196 aa） Chain B 313–403（91 aa）	Mutation：S162K, M164W, R120I, H124I, R128G, M29W Mutation：S162K, M164W, R120I, H124I, R128G, M29W	8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one × 1 CLR CHOLESTEROL × 1 PLM PALMITIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；100 mM MES, pH 6.0-6.5, 28-31% (v/v) PEG 400, 120-200 mM Am-formate, 1-2% (v/v) DMSO	Resolution 3.00 Å R-free 0.275
6A94 Crystal structure of 5-HT2AR in complex with zotepine Deposited 2018-07-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 70–265（196 aa） Chain A 313–403（91 aa）	Mutation：S162K, M164W,R120I, H124I, R128G, M29W Mutation：S162K, M164W,R120I, H124I, R128G, M29W	ZOT 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine × 1 CLR CHOLESTEROL × 1 1PE PENTAETHYLENE GLYCOL × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；100 mM MES, pH 6.0, or HEPES, pH 7.0, 30% (v/v) PEG400, 100 mM Li-chloride, Na-acetate, or 14 other various salts from StockOptions Salt (Hampton Research)	Resolution 2.90 Å R-free 0.269
6A94 Crystal structure of 5-HT2AR in complex with zotepine Deposited 2018-07-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 70–265（196 aa） Chain B 313–403（91 aa）	Mutation：S162K, M164W,R120I, H124I, R128G, M29W Mutation：S162K, M164W,R120I, H124I, R128G, M29W	ZOT 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine × 1 CLR CHOLESTEROL × 1 PLM PALMITIC ACID × 1 A6L 2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；100 mM MES, pH 6.0, or HEPES, pH 7.0, 30% (v/v) PEG400, 100 mM Li-chloride, Na-acetate, or 14 other various salts from StockOptions Salt (Hampton Research)	Resolution 2.90 Å R-free 0.269
6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–265（200 aa） Chain A 311–405（95 aa）	Not recorded	7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 CLR CHOLESTEROL × 2 OLA OLEIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0) 370-410 mM KPO4-mono 90-120 mM GuHCl 28-34% PEG 400	Resolution 3.40 Å R-free 0.305
6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 66–265（200 aa） Chain B 311–405（95 aa）	Not recorded	7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 OLA OLEIC ACID × 1 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0) 370-410 mM KPO4-mono 90-120 mM GuHCl 28-34% PEG 400	Resolution 3.40 Å R-free 0.305
6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain C 66–265（200 aa） Chain C 311–405（95 aa）	Not recorded	7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0) 370-410 mM KPO4-mono 90-120 mM GuHCl 28-34% PEG 400	Resolution 3.40 Å R-free 0.305
6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–265（200 aa） Chain A 311–405（95 aa）	Not recorded	89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine × 1 OLA OLEIC ACID × 2 CLR CHOLESTEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0) 380 mM potassium phosphate-monobasic 33% PEG 400 100 mM Guanidine HCL 300 mM NDSB-195	Resolution 3.40 Å R-free 0.304
6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 66–265（200 aa） Chain B 311–405（95 aa）	Not recorded	89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine × 1 OLA OLEIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0) 380 mM potassium phosphate-monobasic 33% PEG 400 100 mM Guanidine HCL 300 mM NDSB-195	Resolution 3.40 Å R-free 0.304
6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain C 66–265（200 aa） Chain C 311–405（95 aa）	Not recorded	89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine × 1 OLA OLEIC ACID × 1 CLR CHOLESTEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 NDS ETHYL DIMETHYL AMMONIO PROPANE SULFONATE × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0) 380 mM potassium phosphate-monobasic 33% PEG 400 100 mM Guanidine HCL 300 mM NDSB-195	Resolution 3.40 Å R-free 0.304
6WHA HTR2A bound to 25-CN-NBOH in complex with a mini-Galpha-q protein, beta/gamma subunits and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) Deposited 2020-04-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 66–404（339 aa） Fragment：cybC (UNP residues 23-127) + linker + HTR2A (UNP residues 66-404)	Not recorded	U0G 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.36 Å
7RAN 5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) Deposited 2021-07-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 66–404（339 aa） Fragment：UNP residues 66-404	Not recorded	3IQ (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.45 Å
7VOD Crystal structure of 5-HT2AR in complex with cariprazine Deposited 2021-10-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 70–265（196 aa） Chain A 313–403（91 aa）	Mutation：S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N	MG MAGNESIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 7RU 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293.15 K；100 mM Tris/HCl, 100 mM Potassium formate, 30% PEG	Resolution 3.30 Å R-free 0.239
7VOE Crystal structure of 5-HT2AR in complex with aripiprazole Deposited 2021-10-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 70–265（196 aa） Chain A 313–403（91 aa）	Mutation：S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N	CLR CHOLESTEROL × 3 1PE PENTAETHYLENE GLYCOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 9SC 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293.15 K；100 mM Tris/HCl, 50 mM ammonium floride, 28%-30% PEG400, 300 mM NDSB-195 or 3% w/v trimethylamine N-oxide dihydrate	Resolution 2.90 Å R-free 0.244
7WC4 Crystal structure of serotonin 2A receptor in complex with serotonin Deposited 2021-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 67–265（199 aa） Chain A 313–403（91 aa）	Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N	CLR CHOLESTEROL × 3 1PE PENTAETHYLENE GLYCOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 MG MAGNESIUM ION × 1 SRO SEROTONIN × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293.15 K；100 mM Tris-HCl , 100 mM sodium acetate trihydrate, 30% (v/v) polyethylene glycol 400 (PEG400), 4% (v/v) Polypropylene glycol P 400	Resolution 3.20 Å R-free 0.261
7WC5 Crystal structure of serotonin 2A receptor in complex with psilocin Deposited 2021-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 67–265（199 aa） Chain A 313–403（91 aa）	Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N	MG MAGNESIUM ION × 1 CLR CHOLESTEROL × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 91Q 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293.15 K；100 mM Tris-HCl, 175 mM sodium acetate trihydrate, 30% (v/v) PEG400, 4% (v/v) Polypropylene glycol P 400	Resolution 3.20 Å R-free 0.257
7WC6 Crystal structure of serotonin 2A receptor in complex with LSD Deposited 2021-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 67–265（199 aa） Chain A 313–403（91 aa）	Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N	MG MAGNESIUM ION × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 3	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293.15 K；100 mM Tris-HCl, 40 mM Potassium formate, 30% (v/v) PEG400, 2% (v/v) Polypropylene glycol P 400	Resolution 2.60 Å R-free 0.263
7WC7 Crystal structure of serotonin 2A receptor in complex with lisuride Deposited 2021-12-18	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 67–265（199 aa） Chain A 313–403（91 aa）	Not recorded	MG MAGNESIUM ION × 1 CLR CHOLESTEROL × 1 1PE PENTAETHYLENE GLYCOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 PEG DI(HYDROXYETHYL)ETHER × 3 H8G N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris-HCl, 75 mM sodium acetate trihydrate, 30% (v/v) PEG400, 4% (v/v) Polypropylene glycol P 400	Resolution 2.60 Å R-free 0.256
7WC9 Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog Deposited 2021-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 67–265（199 aa） Chain A 313–403（91 aa）	Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N	MG MAGNESIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 93F (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene × 1 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293.15 K；100 mM Tris-HCl, 40 mM sodium acetate trihydrate, 30% (v/v) PEG400, 2% (v/v) Polypropylene glycol P 400	Resolution 2.50 Å R-free 0.266
8JT8 Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 Deposited 2023-06-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 70–265（196 aa） Chain A 313–403（91 aa）	Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N	MG MAGNESIUM ION × 1 EZX 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 CLR CHOLESTEROL × 2 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 8；293.15 K；100 mM Tris/HCl, 160 mM Potassium fluoride, 30% PEG400	Resolution 2.70 Å R-free 0.270
8UWL 5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) Deposited 2023-11-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 66–404（339 aa）	Not recorded	H8G N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.80 Å
8V6U 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking Deposited 2023-12-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 66–404（339 aa）	Not recorded	YEQ 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.00 Å
8ZMG Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A Deposited 2024-05-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 70–265（196 aa） Chain A 313–403（91 aa）	Mutation：S162K,M164W,M29W,H124I,R128L,R315G Mutation：S162K,M164W,M29W,H124I,R128L,R315G	A1L11 Pimavanserin × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；32-38%PEG300, 40-60mM lithium chloride	Resolution 3.40 Å R-free 0.328
8ZMG Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A Deposited 2024-05-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 70–265（196 aa） Chain B 313–403（91 aa）	Mutation：S162K,M164W,M29W,H124I,R128L,R315G Mutation：S162K,M164W,M29W,H124I,R128L,R315G	A1L11 Pimavanserin × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；32-38%PEG300, 40-60mM lithium chloride	Resolution 3.40 Å R-free 0.328
9ARX Local refinement of 5-HT2AR bound to 5-HT in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–471（471 aa）	Not recorded	SRO SEROTONIN × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.24 Å
9ARY Global reconstruction 5-HT2AR bound to 5-HT in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–471（471 aa）	Not recorded	SRO SEROTONIN × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.27 Å
9ARZ Local refinement of 5-HT2AR bound to 2-bromo-LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–471（471 aa）	Not recorded	A1AFU 2-bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8beta-carboxamide × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.37 Å
9AS0 Global reconstruction of 5-HT2AR bound to 2-bromo-LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–471（471 aa）	Not recorded	A1AFU 2-bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8beta-carboxamide × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.38 Å
9AS1 Local refinement of 5-HT2AR bound to DMT in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–471（471 aa）	Not recorded	A1AFV 2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.38 Å
9AS2 Global reconstruction of 5-HT2AR bound to DMT in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–471（471 aa）	Not recorded	A1AFV 2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.21 Å
9AS3 Local refinement of 5-HT2AR bound to LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–471（471 aa）	Not recorded	7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.18 Å
9AS4 Global reconstruction of 5-HT2AR bound to LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–471（471 aa）	Not recorded	7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.06 Å
9AS5 Local refinement of 5-HT2AR bound to Mescaline in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–471（471 aa）	Not recorded	A1AFW Mescaline × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.34 Å
9AS6 Global reconstruction of 5-HT2AR bound to mescaline in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–471（471 aa）	Not recorded	A1AFW Mescaline × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.07 Å
9AS7 Local refinement of 5-HT2AR bound to psilocin in complex with a mini-Gq and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–471（471 aa）	Not recorded	91Q 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 2.72 Å
9AS8 Global reconstruction of 5-HT2AR bound to psilocin in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–471（471 aa）	Not recorded	91Q 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 2.54 Å
9AS9 Local refinement of 5-HT2AR bound to RS130-180 in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–471（471 aa）	Not recorded	A1AFX 2,5-dimethoxy-N,N-dimethyl-4-{2-[({2-[(prop-2-yn-1-yl)oxy]phenyl}methyl)amino]ethyl}aniline × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.47 Å
9ASA Global reconstruction of 5-HT2AR bound to RS130-180 in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–471（471 aa）	Not recorded	A1AFX 2,5-dimethoxy-N,N-dimethyl-4-{2-[({2-[(prop-2-yn-1-yl)oxy]phenyl}methyl)amino]ethyl}aniline × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.12 Å
9J87 Structure of Receptor Deposited 2024-08-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 66–404（339 aa）	Not recorded	F5U 2-(5-methoxy-1H-indol-3-yl)ethanamine × 1 CLR CHOLESTEROL × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.84 Å
9LL7 DOI-bound Serotonin 2A (5-HT2A) receptor-Gi complex Deposited 2025-01-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain R 1–471（471 aa）	Not recorded	CLR CHOLESTEROL × 1 A1EK5 (2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)propan-2-amine × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.84 Å
9LL8 Psilocin-bound Serotonin 2A (5-HT2A) receptor-Gi complex Deposited 2025-01-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain R 1–471（471 aa）	Not recorded	91Q 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol × 1 CLR CHOLESTEROL × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.62 Å
9LL9 DOI-bound Serotonin 2A (5-HT2A) receptor-Gq complex Deposited 2025-01-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain R 1–471（471 aa）	Not recorded	A1EK5 (2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)propan-2-amine × 1 CLR CHOLESTEROL × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.76 Å
9LLA Ariadne-bound Serotonin 2A (5-HT2A) receptor-Gq complex Deposited 2025-01-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain R 1–471（471 aa）	Not recorded	A1EK8 (2~{R})-1-(2,5-dimethoxy-4-methyl-phenyl)butan-2-amine × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.27 Å
9LLB DOI-NBOMe-bound Serotonin 2A (5-HT2A) receptor-Gq complex Deposited 2025-01-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain R 1–471（471 aa）	Not recorded	CLR CHOLESTEROL × 1 A1ELA (2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)-~{N}-[(2-methoxyphenyl)methyl]propan-2-amine × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.98 Å
9UJM Structure of a membrane protein Deposited 2025-04-17	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 66–405（340 aa）	Not recorded	A1L11 Pimavanserin × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.07 Å

38 other PDB entries and 45 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	5HT2A_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–199； UniProt 67–265 Author chain A； PDBConstruct 286–376； UniProt 313–403

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.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	7wc8
Deposition date deposition_date	2021-12-18
Structure title title	Crystal structure of serotonin 2A receptor in complex with lumateperone
Keywords keywords	serotonin 2A receptor, serotonin, 5-HT, MEMBRANE PROTEIN, Lumateperone; MEMBRANE PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	28.47 Å
Radius of gyration Rg (electron density) rg_electron	27.66 Å
Forward intensity I(0) i0	24311800.00
Molecular weight molecular_weight	44666.0 kDa
Excluded volume excluded_volume	58873 Å³
Envelope volume envelope_volume	69775 Å³
Hydration-shell volume shell_volume	23855 Å³
Envelope diameter envelope_diameter	100.8 Å
Shell Rg shell_rg	31.21 Å
Envelope Rg envelope_rg	28.16 Å
Shape Rg shape_rg	27.64 Å
Total Rg total_rg	28.19 Å
Total atoms total_atoms	3144
Residues n_residues	360
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	102.5 Å
Rg (real space) rg_real	29.06 Å
Rg uncertainty (real space) rg_real_error	1.37 Å
I(0) (real space) i0_real	2.4310e+07
I(0) uncertainty (real space) i0_real_error	4.5930e+05
Rg (reciprocal space) rg_reciprocal	28.88 Å
I(0) (reciprocal space) i0_reciprocal	24310000.0000
Solution quality estimate total_estimate	0.7572
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	23.8 Å
Skewness Skewness skewness	0.684
Kurtosis Kurtosis kurtosis	-0.113
Angular range angular_range	— – 0.2800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	4583000.0000
Real-space data points n_real_points	57
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.569; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.334; Smooth: 0.801

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (8)

Entity 1 Entity 1 polymer

Description description	5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
Molecular weight formula_weight	42056.3 kDa
Mutation mutation	S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	3152

SLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTAKIWHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAGSGSGDILVGQIDDALKLANEGKVKEAQAAAEQLKTTINAYIQKYGQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLNSAVNPLVYTLFNKTYRSAFSRYIQCQYKENK

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Spodoptera frugiperda

Entity 2 Entity 2 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	1

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	4

Entity 4 Entity 4 non-polymer

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

Entity 5 Entity 5 non-polymer

Description description	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Molecular weight formula_weight	356.5 kDa
Source method src_method	syn
Copy count entity_count	11

Entity 6 Entity 6 non-polymer

Description description	;1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one ;
Molecular weight formula_weight	393.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 7 Entity 7 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 8 Entity 8 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	8

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7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id	7wc8A01
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
Homologous superfamily homologous superfamily	10 — Cytochrome c/b562

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8. Citations (1)

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Unit-cell length a length_a	49.470 Å
Unit-cell length b length_b	55.330 Å
Unit-cell length c length_c	179.970 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	4

Space group space_group	P 21 2 21
Space-group number int_tables_number	18
Crystal system crystal_system	—

Resolution resolution	2.450 Å
Low-resolution limit resolution_low	47.700 Å
R factor r_factor	0.2197
R_work r_work	0.2185
R_free r_free	0.2438

fit	/app/data/saxs_computation/wc/7wc8/7wc8.fit
pddf	/app/data/pr_computation/wc/7wc8/7wc8.pr.out
profile	/app/data/saxs_computation/wc/7wc8/7wc8.dat