Download MendeleyCrystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor
Mayclin, S.J., Fairman, J.W., Lorimer, D.D., Edwards, T.E.To be published.
5U27
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor
- PDB DOI: https://doi.org/10.2210/pdb5U27/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2016-11-29 Released: 2016-12-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 ?
- R-Value Free: 0.211
- R-Value Work: 0.166
- R-Value Observed: 0.169
Starting Model: experimental
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This is version 1.2 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 | 179 | Mycobacterium tuberculosis | Mutation(s): 0 Gene Names: folA, folA_1, BN1213_03327, BN1303_00864, ERS007661_02580, ERS007663_03946, ERS007665_02766, ERS007741_00337, ERS013471_00736, ERS023446_01268... EC: 1.5.1.3 |  | |
UniProt | |||||
Find proteins for P9WNX1 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WNX1 Go to UniProtKB: P9WNX1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WNX1 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAP Query on NAP | B [auth A] | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H28 N7 O17 P3 XJLXINKUBYWONI-NNYOXOHSSA-N |  | ||
| P65 Query on P65 | F [auth A] | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine C14 H15 Cl3 N4 O2 KNUBCZHIBGZRJT-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | C [auth A], D [auth A], E [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 ?
- R-Value Free: 0.211
- R-Value Work: 0.166
- R-Value Observed: 0.169
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 29.73 | α = 90 |
| b = 66.55 | β = 90 |
| c = 77.6 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| PHASER | phasing |
| Coot | model building |
| XDS | data reduction |
Entry History
Deposition Data
- Released Date: 2016-12-21 Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Revision History (Full details and data files)
- Version 1.0: 2016-12-21
Type: Initial release - Version 1.1: 2017-11-22
Changes: Refinement description - Version 1.2: 2023-10-04
Changes: Data collection, Database references, Refinement description
