Download MendeleyT. brucei FPPS
Muenzker, L., Jahnke, W.To be published.
6SII
T. brucei FPPS in complex with 1-((1H-indol-3-yl)methyl)-N-(3-chlorobenzyl)piperidin-4-amine
- PDB DOI: https://doi.org/10.2210/pdb6SII/pdb
- Classification: TRANSFERASE
- Organism(s): Trypanosoma brucei
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2019-08-09 Released: 2020-08-26
- Funding Organization(s): Other government, Marie Sklodowska-Curie Actions, FragNET ITN
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.33 Å
- R-Value Free: 0.276
- R-Value Work: 0.250
- R-Value Observed: 0.252
Starting Model: experimental
View more details
This is version 1.1 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 |
| Farnesyl pyrophosphate synthase | 369 | Trypanosoma brucei | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for Q86C09 (Trypanosoma brucei) Explore Q86C09 Go to UniProtKB: Q86C09 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q86C09 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| LEZ (Subject of Investigation/LOI) Query on LEZ | B [auth A] | ~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine C21 H24 Cl N3 ZBFRXMWMJAMISF-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.33 Å
- R-Value Free: 0.276
- R-Value Work: 0.250
- R-Value Observed: 0.252
- Space Group: P 61 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 61.631 | α = 90 |
| b = 61.631 | β = 90 |
| c = 342.247 | γ = 120 |
| Software Name | Purpose |
|---|---|
| BUSTER | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-08-26 Deposition Author(s): Muenzker, L., Petrick, J.K., Schleberger, C., Jahnke, W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Other government | Switzerland | 675899 |
| Marie Sklodowska-Curie Actions, FragNET ITN | -- |
Revision History (Full details and data files)
- Version 1.0: 2020-08-26
Type: Initial release - Version 1.1: 2024-01-24
Changes: Data collection, Database references, Refinement description
