Download MendeleyPanDDA analysis group deposition of ground-state model - FPPS screened against the DSI Fragment Library
Petrick, J.K., Muenzker, L., von Delft, F., Jahnke, W.To be published.
5QQC
Crystal Structure of T. cruzi FPPS after initial refinement with no ligand modelled (structure $n)
- PDB DOI: https://doi.org/10.2210/pdb5QQC/pdb
- Deposition Group: G_1002064 (ground state) ExploreG_1002064
- Classification: TRANSFERASE
- Organism(s): Trypanosoma cruzi
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2019-03-14 Released: 2020-04-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.62 Å
- R-Value Free: 0.227
- R-Value Work: 0.192
- R-Value Observed: 0.193
wwPDB Validation 3D Report Full Report
This is version 1.1 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Farnesyl diphosphate synthase | 364 | Trypanosoma cruzi | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for Q8WS26 (Trypanosoma cruzi) Explore Q8WS26 Go to UniProtKB: Q8WS26 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8WS26 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | B [auth A], C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| ACT Query on ACT | D [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
| MG Query on MG | E [auth A], F [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.62 Å
- R-Value Free: 0.227
- R-Value Work: 0.192
- R-Value Observed: 0.193
- Space Group: P 61 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 57.681 | α = 90 |
| b = 57.681 | β = 90 |
| c = 396.512 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| Aimless | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| REFMAC | phasing |
Entry History
Deposition Data
- Released Date: 2020-04-29 Deposition Author(s): Petrick, J.K., Nelson, E.R., Muenzker, L., Krojer, T., Douangamath, A., Brandao-Neto, J., von Delft, F., Dekker, C., Jahnke, W.
Revision History (Full details and data files)
- Version 1.0: 2020-04-29
Type: Initial release - Version 1.1: 2024-03-06
Changes: Data collection, Database references
