5i71

X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site

Method: X-RAY DIFFRACTION D_max: 116.1 Å Quality: EXCELLENT

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

Sodium-dependent serotonin transporter

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 heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count	Chain A； UniProt 76–618	Not recorded	8B6 antibody, heavy chain × 1 8B6 antibody, light chain × 1 68P (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 D12 DODECANE × 1 HEX HEXANE × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；277 K；100 mM Tris pH 8.5, 25-125 mM KCl, 32.5-34% PEG 400, 0.5% 6-aminohexanoic acid	Resolution 3.15 Å R-free 0.276

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 5I71	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
5I6X X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site Deposited 2016-02-16	Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa）	Mutation：Y110A, I291A, T439S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 LMT DODECYL-BETA-D-MALTOSIDE × 1 8PR Paroxetine × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；100 mM Tris pH 8.5, 25-125 mM KCl, 32.5-34% PEG 400, 0.5% 6-aminohexanoic acid	Resolution 3.14 Å R-free 0.270
5I6Z X-ray structure of the ts2 human serotonin transporter Deposited 2016-02-16	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa）	Mutation：I291A, T439S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；100 mM Tris pH 8, 250 mM LiCl, 34.7% PEG 400	Resolution 4.53 Å R-free 0.317
5I73 X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central and allosteric sites Deposited 2016-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa）	Not recorded	68P (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 C14 TETRADECANE × 1 NA SODIUM ION × 2 ACA 6-AMINOHEXANOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；100 mM Tris pH 8.5, 25-125 mM KCl, 32.5-34% PEG 400	Resolution 3.24 Å R-free 0.275
5I74 X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site Deposited 2016-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa）	Not recorded	69D (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 D12 DODECANE × 1 HEX HEXANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；100 mM Tris pH 8.5, 125 mM NaCl, 125 mM magnesium chloride, 33.4% PEG 400	Resolution 3.40 Å R-free 0.296
5I75 X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site Deposited 2016-02-16	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa）	Not recorded	68P (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 C14 TETRADECANE × 1 69D (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；100 mM Tris pH 8.5, 25-125 mM KCl, 32.5-34% PEG 400, 0.5% 6-aminohexanoic acid	Resolution 3.49 Å R-free 0.286
6AWN X-ray structure of the S439T human serotonin transporter complexed with paroxetine at the central site Deposited 2017-09-06	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa） Fragment：residues 76-618	Mutation：Y110A, I291A, C554A, C580A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 LMT DODECYL-BETA-D-MALTOSIDE × 1 8PR Paroxetine × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Tris-HCl pH 8.5, 40 mM Li2S04, 40 mM Na2S04, 34.5% PEG 400, 0.5% 6-aminohexanoic acid	Resolution 3.62 Å R-free 0.263
6AWO X-ray structure of the ts3 human serotonin transporter complexed with sertraline at the central site Deposited 2017-09-06	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa）	Mutation：Y110A, I291A, T439S, C554A, C580A	SRE (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；50 mM Tris-HCl pH 8.5, 75 mM Li2SO4, 75 mM Na2SO4, 35% PEG 400, 0.5% 6-aminohexanoic acid	Resolution 3.53 Å R-free 0.283
6AWP X-ray structure of the ts3 human serotonin transporter complexed with fluvoxamine at the central site Deposited 2017-09-06	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa） Fragment：residues 76-618	Mutation：Y110A, I291A, T439S, C554A, C580A	FVX Fluvoxamine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；50 mM Tris-HCl pH 8.5, 75 mM Li2SO4, 75 mM Na2SO4, 34% PEG 400, 0.5% 6-aminohexanoic acid	Resolution 3.80 Å R-free 0.269
6AWQ Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site Deposited 2017-09-06	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa）	Not recorded	SRE (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；50 mM Tris-HCl pH 8.5, 40 mM Li2SO4, 40 mM Na2SO4, 35% PEG 400, 0.5% 6-aminohexanoic acid	Resolution 4.05 Å R-free 0.316
6DZV Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation Deposited 2018-07-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 79–615（537 aa） Fragment：UNP residues 79-615	Not recorded	HJM (5beta)-12-methoxyibogamine × 1 Y01 CHOLESTEROL HEMISUCCINATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.20 Å
6DZW Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv Deposited 2018-07-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 79–615（537 aa）	Not recorded	8PR Paroxetine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.30 Å
6DZY Cryo-EM structure of the ts2-active human serotonin transporter in complex with 15B8 Fab and 8B6 ScFv bound to ibogaine Deposited 2018-07-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 79–615（537 aa） Fragment：UNP residues 79-615	Not recorded	HJM (5beta)-12-methoxyibogamine × 1 LMT DODECYL-BETA-D-MALTOSIDE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.10 Å
6DZZ Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation Deposited 2018-07-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 78–617（540 aa） Fragment：UNP residues 79-615	Not recorded	HJM (5beta)-12-methoxyibogamine × 1 LMT DODECYL-BETA-D-MALTOSIDE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.60 Å
6VRH Cryo-EM structure of the wild-type human serotonin transporter complexed with paroxetine and 8B6 Fab Deposited 2020-02-07	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–630（630 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 8PR Paroxetine × 1 CL CHLORIDE ION × 1 LMT DODECYL-BETA-D-MALTOSIDE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.30 Å
6VRK Cryo-EM structure of the wild-type human serotonin transporter complexed with Br-paroxetine and 8B6 Fab Deposited 2020-02-07	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–630（630 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 LMT DODECYL-BETA-D-MALTOSIDE × 1 RFS Br-paroxetine × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.10 Å
6VRL Cryo-EM structure of the wild-type human serotonin transporter complexed with I-paroxetine and 8B6 Fab Deposited 2020-02-07	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–630（630 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 LMT DODECYL-BETA-D-MALTOSIDE × 1 RFY I-paroxetine × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.80 Å
6W2B Anomalous bromine signal reveals the position of Br-paroxetine complexed with the serotonin transporter at the central site Deposited 2020-03-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa） Fragment：UNP residues 76-618	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 RFS Br-paroxetine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；50 mM Tris, pH 8.5, 20 mM sodium sulfate, 20 mM lithium chloride, 36% PEG400, 0.5% 6-aminohexanoic acid	Resolution 4.70 Å R-free 0.293
6W2C Anomalous iodine signal reveals the position of I-paroxetine complexed with the serotonin transporter at the central site Deposited 2020-03-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 76–618（543 aa） Fragment：UNP residues 76-618	Not recorded	RFY I-paroxetine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；100 mM HEPES, pH 7.5, 40 mM magnesium chloride, 32% PEG400	Resolution 6.30 Å R-free 0.369
7LI6 apo SERT reconstituted in lipid nanodisc in KCl Deposited 2021-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 79–617（539 aa）	Not recorded	CL CHLORIDE ION × 1 R16 HEXADECANE × 1 HP6 HEPTANE × 9 D10 DECANE × 6 D12 DODECANE × 3 LNK PENTANE × 4	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.50 Å
7LI7 apo serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in occluded conformation Deposited 2021-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 79–615（537 aa）	Not recorded	D12 DODECANE × 3 HP6 HEPTANE × 5 LNK PENTANE × 1 CLR CHOLESTEROL × 1 D10 DECANE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.10 Å
7LI8 apo serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in inward open conformation Deposited 2021-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 79–617（539 aa）	Not recorded	R16 HEXADECANE × 1 D10 DECANE × 1 D12 DODECANE × 3 HP6 HEPTANE × 6 LNK PENTANE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.90 Å
7LI9 5-HT bound serotonin transporter reconstituted in lipid nanodisc in KCl Deposited 2021-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 79–617（539 aa）	Not recorded	D12 DODECANE × 2 HP6 HEPTANE × 2 D10 DECANE × 3 LNK PENTANE × 1 SRO SEROTONIN × 2 CL CHLORIDE ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.90 Å
7LIA 5-HT bound serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in outward facing conformation Deposited 2021-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 79–617（539 aa）	Not recorded	SRO SEROTONIN × 2 CL CHLORIDE ION × 1 NA SODIUM ION × 2 D10 DECANE × 5 HP6 HEPTANE × 13 LNK PENTANE × 1 CLR CHOLESTEROL × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.30 Å
7LWD Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab Deposited 2021-03-01	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 77–617（541 aa）	Not recorded	IXX 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE × 1 YG7 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.65 Å
7MGW 5-HT bound serotonin transporter reconstituted in lipid nanodisc in NaCl in occluded conformation Deposited 2021-04-13	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 79–615（537 aa）	Not recorded	CL CHLORIDE ION × 1 D12 DODECANE × 4 LNK PENTANE × 1 HP6 HEPTANE × 6 D10 DECANE × 1 SRO SEROTONIN × 2 CLR CHOLESTEROL × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.50 Å
7TXT Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl Deposited 2022-02-09	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain S 77–617（541 aa）	Not recorded	KWC 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.00 Å
9HCO Outward-open structure of human serotonin transporter bound to vilazodone Deposited 2024-11-11	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–630（630 aa）	Not recorded	YG7 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.78 Å
9IY7 Cryo-EM structure of the wild-type human serotonin transporter complexed with S-ketamine Deposited 2024-07-30	Different construct Different oligomeric state 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 1–630（630 aa）	Not recorded	CL CHLORIDE ION × 1 NA SODIUM ION × 2 Y01 CHOLESTEROL HEMISUCCINATE × 3 LMT DODECYL-BETA-D-MALTOSIDE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 JC9 (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one × 1 DD9 nonane × 5 D12 DODECANE × 6 D10 DECANE × 2 OCT N-OCTANE × 5	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.27 Å
9PNS Structure of human serotonin transporter bound to small molecule zPZd in lipid nanodisc and NaCl Deposited 2025-07-21	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 77–617（541 aa）	Not recorded	CL CHLORIDE ION × 1 A1CIZ (6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.40 Å

29 other PDB entries and 29 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SC6A4_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–545； UniProt 76–618

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	5i71
Deposition date deposition_date	2016-02-16
Structure title title	X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site
Keywords keywords	Membrane protein; 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	35.83 Å
Radius of gyration Rg (electron density) rg_electron	35.06 Å
Forward intensity I(0) i0	162142000.00
Molecular weight molecular_weight	107830.0 kDa
Excluded volume excluded_volume	137020 Å³
Envelope volume envelope_volume	178820 Å³
Hydration-shell volume shell_volume	43100 Å³
Envelope diameter envelope_diameter	113.0 Å
Shell Rg shell_rg	40.99 Å
Envelope Rg envelope_rg	34.39 Å
Shape Rg shape_rg	35.04 Å
Total Rg total_rg	35.57 Å
Total atoms total_atoms	7615
Residues n_residues	974
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	116.1 Å
Rg (real space) rg_real	35.82 Å
Rg uncertainty (real space) rg_real_error	1.04 Å
I(0) (real space) i0_real	1.6210e+08
I(0) uncertainty (real space) i0_real_error	2.9200e+06
Rg (reciprocal space) rg_reciprocal	35.83 Å
I(0) (reciprocal space) i0_reciprocal	162100000.0000
Solution quality estimate total_estimate	0.9022
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	37.0 Å
Skewness Skewness skewness	0.225
Kurtosis Kurtosis kurtosis	-0.713
Angular range angular_range	— – 0.2200 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	22840000.0000
Real-space data points n_real_points	45
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.973

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (10)

Entity 1 Entity 1 polymer

Description description	Sodium-dependent serotonin transporter
Molecular weight formula_weight	61689.8 kDa
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	7616

GSQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICAQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIALSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSSFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIIASFLMSPPQLRLFQYNYPYWSIILGYAIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTLVPR

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	Homo sapiens

Entity 2 Entity 2 polymer

Description description	8B6 antibody, heavy chain
Molecular weight formula_weight	23688.4 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

EVQLQQSGPELVKPGASVKISCKASGYTFTDYYMNWVKQSHGKSLEWIGNINPNNGGTSYNQKFKGKATLTVDKSSTTAYMELRSLTSEDSAVYYCTRSPVRPYYFDYWGQGTTLTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPSGP

来源 Source

来源生物 organism	Mus musculus
NCBI Class编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Spodoptera frugiperda

Entity 3 Entity 3 polymer

Description description	8B6 antibody, light chain
Molecular weight formula_weight	23718.2 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C

DIVMTQSHKFMSTSVGDRVSITCKASQDVSTAVAWYQQKPGQSPKLLIYSASYRYTGVPDRFTGSGSGTDFTFTISSVQAEDLAVYYCQQHYSIPRTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

来源 Source

来源生物 organism	Mus musculus
NCBI Class编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Spodoptera frugiperda

Entity 4 Entity 4 non-polymer

Description description	(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Molecular weight formula_weight	324.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	221.2 kDa
Source method src_method	man
Copy count entity_count	2

Entity 6 Entity 6 non-polymer

Description description	CHOLESTEROL
Molecular weight formula_weight	386.7 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 7 Entity 7 non-polymer

Description description	DODECANE
Molecular weight formula_weight	170.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 8 Entity 8 non-polymer

Description description	HEXANE
Molecular weight formula_weight	86.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 9 Entity 9 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 10 Entity 10 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	1

▼

7. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d5i71b_
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.1 — Immunoglobulin
Family Family family	b.1.1.1 — V set domains (antibody variable domain-like)

Domain ID domain_id	d5i71c1
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.1 — Immunoglobulin
Family Family family	b.1.1.0 — automated matches

Domain ID domain_id	d5i71c2
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.1 — Immunoglobulin
Family Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

CATH v4.4 (4 domains)

Domain ID domain_id	5i71B01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	5i71B02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	5i71C01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	5i71C02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

▶

8. Citations (1)

▶

Unit-cell length a length_a	129.720 Å
Unit-cell length b length_b	163.740 Å
Unit-cell length c length_c	140.560 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	8

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

Resolution resolution	3.150 Å
Low-resolution limit resolution_low	53.330 Å
R factor r_factor	0.2420
R_work r_work	0.2400
R_free r_free	0.2760

fit	/app/data/saxs_computation/i7/5i71/5i71.fit
pddf	/app/data/pr_computation/i7/5i71/5i71.pr.out
profile	/app/data/saxs_computation/i7/5i71/5i71.dat

X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site

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

Sodium-dependent serotonin transporter

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (10)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 polymer

Polymer Polymer

来源 Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 water

7. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (3 domains)

CATH v4.4 (4 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)