Download MendeleyCrystal structure of thioredoxin reductase from Cryptococcus neoformans in complex with FAD (FO conformation)
Bravo-Chaucanes, C.P., Valadares, N.F., Felipe, M.S.S., Barbosa, J.A.R.G.To be published.
5W4C
Crystal structure of thioredoxin reductase from Cryptococcus neoformans in complex with FAD (FO conformation)
- PDB DOI: https://doi.org/10.2210/pdb5W4C/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Cryptococcus neoformans var. grubii H99
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2017-06-09 Released: 2018-06-13
- Funding Organization(s): Brazilian National Council for Scientific and Technological Development (CNPq), FAPDF/CNPq
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 Å
- R-Value Free: 0.228
- R-Value Work: 0.166
- R-Value Observed: 0.169
This is version 1.3 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 |
| Thioredoxin reductase | 371 | Cryptococcus neoformans var. grubii H99 | Mutation(s): 0 Gene Names: CNAG_05847 EC: 1.8.1.9 |  | |
UniProt | |||||
Find proteins for J9VRX9 (Cryptococcus neoformans var. grubii serotype A (strain H99 / ATCC 208821 / CBS 10515 / FGSC 9487)) Explore J9VRX9 Go to UniProtKB: J9VRX9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | J9VRX9 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FAD Query on FAD | C [auth A], H [auth B] | FLAVIN-ADENINE DINUCLEOTIDE C27 H33 N9 O15 P2 VWWQXMAJTJZDQX-UYBVJOGSSA-N |  | ||
| PEG Query on PEG | E [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | D [auth A], I [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| ACT Query on ACT | G [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
| CA Query on CA | F [auth A], J [auth B], K [auth B] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 Å
- R-Value Free: 0.228
- R-Value Work: 0.166
- R-Value Observed: 0.169
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 86.14 | α = 90 |
| b = 108.828 | β = 90 |
| c = 70.354 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-06-13 Deposition Author(s): Bravo-Chaucanes, C.P., Valadares, N.F., Felipe, M.S.S., Barbosa, J.A.R.G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Brazilian National Council for Scientific and Technological Development (CNPq) | Brazil | 564007/2010-2 |
| FAPDF/CNPq | Brazil | 193000569/2009 |
Revision History (Full details and data files)
- Version 1.0: 2018-06-13
Type: Initial release - Version 1.1: 2019-04-17
Changes: Author supporting evidence, Data collection - Version 1.2: 2020-01-08
Changes: Author supporting evidence - Version 1.3: 2023-10-04
Changes: Data collection, Database references, Derived calculations, Refinement description
