5I71
X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site
- PDB DOI: https://doi.org/10.2210/pdb5I71/pdb
- Classification: MEMBRANE PROTEIN
- Organism(s): Homo sapiens, Mus musculus
- Expression System: Homo sapiens, Spodoptera frugiperda
- Mutation(s): Yes
- Membrane Protein: Yes PDBTMMemProtMDmpstruc
- Deposited: 2016-02-16 Released: 2016-04-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.15 Å
- R-Value Free: 0.276
- R-Value Work: 0.240
- R-Value Observed: 0.242
This is version 1.4 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Sodium-dependent serotonin transporter | 549 | Homo sapiens | Mutation(s): 4 Gene Names: SLC6A4, HTT, SERT Membrane Entity: Yes |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P31645 (Homo sapiens) Explore P31645 Go to UniProtKB: P31645 | |||||
PHAROS: P31645 GTEx: ENSG00000108576 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P31645 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 8B6 antibody, heavy chain | 221 | Mus musculus | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 8B6 antibody, light chain | 214 | Mus musculus | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 6 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CLR Query on CLR | F [auth A] | CHOLESTEROL C27 H46 O HVYWMOMLDIMFJA-DPAQBDIFSA-N |  | ||
| 68P Query on 68P | D [auth A] | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile C20 H21 F N2 O WSEQXVZVJXJVFP-FQEVSTJZSA-N |  | ||
| NAG Query on NAG | E [auth A], I [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| D12 Query on D12 | G [auth A] | DODECANE C12 H26 SNRUBQQJIBEYMU-UHFFFAOYSA-N |  | ||
| HEX Query on HEX | H [auth A] | HEXANE C6 H14 VLKZOEOYAKHREP-UHFFFAOYSA-N |  | ||
| NA Query on NA | J [auth A], K [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.15 Å
- R-Value Free: 0.276
- R-Value Work: 0.240
- R-Value Observed: 0.242
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 129.72 | α = 90 |
| b = 163.74 | β = 90 |
| c = 140.56 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-04-13 Deposition Author(s): Coleman, J.A., Green, E.M., Gouaux, E.
Revision History (Full details and data files)
- Version 1.0: 2016-04-13
Type: Initial release - Version 1.1: 2016-04-20
Changes: Database references - Version 1.2: 2016-05-04
Changes: Database references - Version 1.3: 2020-03-04
Changes: Data collection, Database references, Derived calculations - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary
