4XNX
X-ray structure of Drosophila dopamine transporter in complex with reboxetine
- PDB DOI: https://doi.org/10.2210/pdb4XNX/pdb
- Classification: transport protein/inhibitor
- Organism(s): Drosophila melanogaster, Mus musculus
- Expression System: Homo sapiens, Mus musculus
- Mutation(s): Yes
- Membrane Protein: Yes PDBTMMemProtMDmpstruc
- Deposited: 2015-01-16 Released: 2015-05-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.00 Å
- R-Value Free: 0.258
- R-Value Work: 0.217
- R-Value Observed: 0.219
This is version 2.1 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 |
| Transporter | 536 | Drosophila melanogaster | Mutation(s): 2 Gene Names: DAT, Dmel_CG8380 Membrane Entity: Yes |  | |
UniProt | |||||
Find proteins for Q7K4Y6 (Drosophila melanogaster) Explore Q7K4Y6 Go to UniProtKB: Q7K4Y6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q7K4Y6 | ||||
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 |
| antibody fragment light chain | B [auth L] | 214 | 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 |
| Antibody fragment heavy chain | C [auth H] | 240 | Mus musculus | Mutation(s): 0 |  |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CLR Query on CLR | E [auth A], F [auth A] | CHOLESTEROL C27 H46 O HVYWMOMLDIMFJA-DPAQBDIFSA-N |  | ||
| 41X Query on 41X | J [auth A] | (2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine C19 H23 N O3 CBQGYUDMJHNJBX-RTBURBONSA-N |  | ||
| CL Query on CL | I [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| NA Query on NA | G [auth A], H [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 4 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_900018 Query on PRD_900018 | D [auth B] | beta-maltose | Oligosaccharide / Nutrient |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.00 Å
- R-Value Free: 0.258
- R-Value Work: 0.217
- R-Value Observed: 0.219
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 97.673 | α = 90 |
| b = 141.036 | β = 90 |
| c = 167.247 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| PDB_EXTRACT | data extraction |
| SCALEPACK | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2015-05-13 Deposition Author(s): Aravind, P., Wang, K., Gouaux, E.
Revision History (Full details and data files)
- Version 1.0: 2015-05-13
Type: Initial release - Version 1.1: 2015-05-27
Changes: Database references - Version 1.2: 2015-06-10
Changes: Database references - Version 1.3: 2017-05-31
Changes: Other - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2023-09-27
Changes: Data collection, Database references, Refinement description, Structure summary
