Download MendeleyThe making of a potent L-lactate transport inhibitor
Bosshart, P.D., Kalbermatter, D., Bonetti, S., Fotiadis, D.(2021) Commun Chem 4: 128
6ZGS
Crystal structure of a MFS transporter with bound 3-phenylpropanoic acid at 2.39 Angstroem resolution
- PDB DOI: https://doi.org/10.2210/pdb6ZGS/pdb
- Classification: MEMBRANE PROTEIN
- Organism(s): Syntrophobacter fumaroxidans MPOB
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Membrane Protein: Yes OPMPDBTMMemProtMD
- Deposited: 2020-06-19 Released: 2021-10-20
- Funding Organization(s): Swiss National Science Foundation
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 ?
- R-Value Free: 0.252
- R-Value Work: 0.216
- R-Value Observed: 0.218
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| L-lactate transporter | 420 | Syntrophobacter fumaroxidans MPOB | Mutation(s): 0 Gene Names: Sfum_3364 Membrane Entity: Yes |  | |
UniProt | |||||
Find proteins for A0LNN5 (Syntrophobacter fumaroxidans (strain DSM 10017 / MPOB)) Explore A0LNN5 Go to UniProtKB: A0LNN5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0LNN5 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HCI (Subject of Investigation/LOI) Query on HCI | C [auth A], D [auth B] | HYDROCINNAMIC ACID C9 H10 O2 XMIIGOLPHOKFCH-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 ?
- R-Value Free: 0.252
- R-Value Work: 0.216
- R-Value Observed: 0.218
- Space Group: P 21 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 102.146 | ¦Á = 90 |
| b = 199.681 | ¦Â = 90 |
| c = 61.608 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| Aimless | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
Entry History & Funding Information
Deposition Data
- Released Date: 2021-10-20 Deposition Author(s): Kalbermatter, D., Bosshart, P., Bonetti, S., Fotiadis, D.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Swiss National Science Foundation | Switzerland | 310030_184980 |
Revision History (Full details and data files)
- Version 1.0: 2021-10-20
Type: Initial release - Version 1.1: 2022-05-04
Changes: Database references - Version 1.2: 2024-01-24
Changes: Data collection, Refinement description
