6awp

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

Method: X-RAY DIFFRACTION Dmax: 113.3 Å Quality: GOOD

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

Sodium-dependent serotonin transporter

Homo sapiens

UniProt P31645

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 Fragment:residues 76-618 Mutation:Y110A, I291A, T439S, C554A, C580A 8B6 antibody FAB heavy chain × 1 (A0A0F7R1P3) 8B6 antibody FAB light chain × 1 (A0A0F7R5U8) 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

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.

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

8B6 antibody FAB heavy chain

Mus musculus

UniProt A0A0F7R1P3

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 B; UniProt 134–232 Not recorded Sodium-dependent serotonin transporter × 1 (P31645) 8B6 antibody FAB light chain × 1 (A0A0F7R5U8) 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

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.

4 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name A0A0F7R1P3_MOUSE
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 120–218; UniProt 134–232

8B6 antibody FAB light chain

Mus musculus

UniProt A0A0F7R5U8

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 C; UniProt 122–239 Not recorded Sodium-dependent serotonin transporter × 1 (P31645) 8B6 antibody FAB heavy chain × 1 (A0A0F7R1P3) 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

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.

7 other PDB entries and 8 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name A0A0F7R5U8_MOUSE
Isoform
PDB entities 3
Chains and sequence ranges Author chain C; PDBConstruct 97–214; UniProt 122–239

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

SAXS profile for 6awp

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6awp
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6awp
Deposition date deposition_date2017-09-06
Structure title titleX-ray structure of the ts3 human serotonin transporter complexed with fluvoxamine at the central site
Keywords keywordsNeurotransmitter transporter, antidepressant, TRANSPORT PROTEIN; TRANSPORT PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier35.99
Radius of gyration Rg (electron density) rg_electron35.34
Forward intensity I(0) i0164787000.00
Molecular weight molecular_weight108800.0 kDa
Excluded volume excluded_volume138270 ų
Envelope volume envelope_volume180470 ų
Hydration-shell volume shell_volume43316 ų
Envelope diameter envelope_diameter113.5
Shell Rg shell_rg41.19
Envelope Rg envelope_rg34.56
Shape Rg shape_rg35.31
Total Rg total_rg35.88
Total atoms total_atoms7679
Residues n_residues976
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

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

Maximum dimension Dmax dmax113.3
Rg (real space) rg_real35.98
Rg uncertainty (real space) rg_real_error0.90
I(0) (real space) i0_real1.6480e+08
I(0) uncertainty (real space) i0_real_error2.5090e+06
Rg (reciprocal space) rg_reciprocal35.99
I(0) (reciprocal space) i0_reciprocal164800000.0000
Solution quality estimate total_estimate0.8975
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary36.1
Skewness Skewness skewness0.222
Kurtosis Kurtosis kurtosis-0.722
Angular range angular_range— – 0.2200 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha22170000.0000
Real-space data points n_real_points45
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.955; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.821

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (9)

7. Fold Classification (SCOP + CATH) 3 domains

CATH v4.4 (3 domains)

Domain ID domain_id6awpB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6awpC01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6awpC02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)