Download MendeleyFirst Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
Lin, Y.H., Hou, C.F.D., Loppnau, P., Dong, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Hui, R., Walker, J.R., Structural Genomics Consortium (SGC)To be published.
5TCM
First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
- PDB DOI: https://doi.org/10.2210/pdb5TCM/pdb
- Classification: UNKNOWN FUNCTION
- Organism(s): Leishmania donovani BPK282A1
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2016-09-15 Released: 2016-10-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.218
- R-Value Work: 0.182
- R-Value Observed: 0.184
Starting Model: experimental
View more details
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 |
| Uncharacterized protein | 130 | Leishmania donovani BPK282A1 | Mutation(s): 0 Gene Names: LDBPK_091320 |  | |
UniProt | |||||
Find proteins for A0A3Q8I8I6 (Leishmania donovani) Explore A0A3Q8I8I6 Go to UniProtKB: A0A3Q8I8I6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A3Q8I8I6 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| R78 Query on R78 | D [auth A], F [auth B], I [auth C] | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide C28 H39 N7 O3 XQVVPGYIWAGRNI-JOCHJYFZSA-N |  | ||
| EDO Query on EDO | E [auth A], G [auth B], H [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.218
- R-Value Work: 0.182
- R-Value Observed: 0.184
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 101.332 | α = 90 |
| b = 85.25 | β = 94.46 |
| c = 57.277 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data scaling |
| PHASER | phasing |
| BUSTER-TNT | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
Entry History
Deposition Data
- Released Date: 2016-10-05 Deposition Author(s): Lin, Y.H., Hou, C.F.D., Loppnau, P., Dong, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Hui, R., Walker, J.R., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2016-10-05
Type: Initial release - Version 1.1: 2018-01-24
Changes: Database references, Derived calculations, Structure summary - Version 1.2: 2018-04-18
Changes: Data collection, Derived calculations, Structure summary - Version 1.3: 2023-10-04
Changes: Data collection, Database references, Derived calculations, Refinement description, Structure summary
