Download MendeleyLong Residence Time Inhibitors of Dihydrofolate Reductase Display Potent Activity Against Mycobacterium Avium.
Wright, L., Krucinska, J., Erlandsen, H., Haijan, B., Cynamon, M., Wright, D.To be published.
8VTC | pdb_00008vtc
Crystal structure of Mycobacterium avium dihydrofolate reductase in complex with NADPH and trimethoprim
- PDB DOI: https://doi.org/10.2210/pdb8VTC/pdb
- Classification: OXIDOREDUCTASE/INHIBITOR
- Organism(s): Mycobacterium avium
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2024-01-26 Released: 2025-03-19
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.240 (Depositor), 0.240 (DCC)
- R-Value Work: 0.167 (Depositor), 0.167 (DCC)
Starting Model: experimental
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This is version 1.0 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 |
| Dihydrofolate reductase | 167 | Mycobacterium avium | Mutation(s): 0 Gene Names: folA EC: 1.5.1.3 |  | |
UniProt | |||||
Find proteins for O30463 (Mycobacterium avium) Explore O30463 Go to UniProtKB: O30463 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O30463 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NDP (Subject of Investigation/LOI) Query on NDP | B [auth A] | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H30 N7 O17 P3 ACFIXJIJDZMPPO-NNYOXOHSSA-N |  | ||
| TOP (Subject of Investigation/LOI) Query on TOP | C [auth A] | TRIMETHOPRIM C14 H18 N4 O3 IEDVJHCEMCRBQM-UHFFFAOYSA-N |  | ||
| CL Query on CL | D [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.240 (Depositor), 0.240 (DCC)
- R-Value Work: 0.167 (Depositor), 0.167 (DCC)
Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 70.251 | α = 90 |
| b = 70.251 | β = 90 |
| c = 73.511 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| REFMAC | refinement |
| autoPROC | data reduction |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-03-19 Deposition Author(s): Erlandsen, H., Krucinska, J., Wright, D.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | 5R41AI165272-02 |
Revision History (Full details and data files)
- Version 1.0: 2025-03-19
Type: Initial release
