Download MendeleyPlasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
Zhu, L., Li, H.To be published.
7WYF
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
- PDB DOI: https://doi.org/10.2210/pdb7WYF/pdb
- Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
- Organism(s): Plasmodium falciparum
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2022-02-16 Released: 2023-02-22
- Funding Organization(s): Other government
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.30 Å
- R-Value Free: 0.359
- R-Value Work: 0.258
- R-Value Observed: 0.263
Starting Model: experimental
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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 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | 431 | Plasmodium falciparum | Mutation(s): 0 Gene Names: dhod EC: 1.3.5.2 |  | |
UniProt | |||||
Find proteins for Q08210 (Plasmodium falciparum (isolate 3D7)) Explore Q08210 Go to UniProtKB: Q08210 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q08210 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FMN Query on FMN | B [auth A] | FLAVIN MONONUCLEOTIDE C17 H21 N4 O9 P FVTCRASFADXXNN-SCRDCRAPSA-N |  | ||
| 7NE (Subject of Investigation/LOI) Query on 7NE | D [auth A] | ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate C17 H15 N O4 KDQAZKWASGPNFD-UHFFFAOYSA-N |  | ||
| ORO Query on ORO | C [auth A] | OROTIC ACID C5 H4 N2 O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.30 Å
- R-Value Free: 0.359
- R-Value Work: 0.258
- R-Value Observed: 0.263
- Space Group: I 2 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 57.71 | α = 90 |
| b = 71.77 | β = 90 |
| c = 179.43 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| REFMAC | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| Other government | China | 81222046 |
Revision History (Full details and data files)
- Version 1.0: 2023-02-22
Type: Initial release - Version 1.1: 2023-11-29
Changes: Data collection, Refinement description
