3F48
Crystal structure of LeuT bound to L-alanine and sodium
- PDB DOI: https://doi.org/10.2210/pdb3F48/pdb
- Classification: TRANSPORT PROTEIN
- Organism(s): Aquifex aeolicus
- Expression System: Escherichia coli
- Mutation(s): No
- Membrane Protein: Yes PDBTMMemProtMDmpstruc
- Deposited: 2008-10-31 Released: 2008-12-23
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.229
- R-Value Work: 0.211
- R-Value Observed: 0.211
This is version 1.3 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 | 519 | Aquifex aeolicus | Mutation(s): 0 Gene Names: snf, aq_2077 Membrane Entity: Yes |  | |
UniProt | |||||
Find proteins for O67854 (Aquifex aeolicus (strain VF5)) Explore O67854 Go to UniProtKB: O67854 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O67854 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| BOG Query on BOG | B [auth A] C [auth A] D [auth A] E [auth A] F [auth A] | octyl beta-D-glucopyranoside C14 H28 O6 HEGSGKPQLMEBJL-RKQHYHRCSA-N |  | ||
| ALA Query on ALA | J [auth A] | ALANINE C3 H7 N O2 QNAYBMKLOCPYGJ-REOHCLBHSA-N |  | ||
| NA Query on NA | H [auth A], I [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.229
- R-Value Work: 0.211
- R-Value Observed: 0.211
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 89.4 | α = 90 |
| b = 87.2 | β = 95.9 |
| c = 81.2 | γ = 90 |
| Software Name | Purpose |
|---|---|
| ADSC | data collection |
| AMoRE | phasing |
| CNS | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2008-12-23 Deposition Author(s): Singh, S.K., Piscitelli, C.L., Yamashita, A., Gouaux, E.
Revision History (Full details and data files)
- Version 1.0: 2008-12-23
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Database references, Derived calculations, Structure summary - Version 1.3: 2023-09-06
Changes: Data collection, Database references, Refinement description, Structure summary
