Download MendeleyCrystal structure of LdBPK_091320.1 with with inhibitor bound
Lin, Y.H., Dong, A., Loppnau, P., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Hui, R., Structural Genomics Consortium (SGC)To be published.
6BYA
Crystal structure of LdBPK_091320 with inhibitor bound
- PDB DOI: https://doi.org/10.2210/pdb6BYA/pdb
- Classification: UNKNOWN FUNCTION
- Organism(s): Leishmania donovani BPK282A1
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2017-12-20 Released: 2018-01-17
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.26 ?
- R-Value Free: 0.239
- R-Value Work: 0.195
- R-Value Observed: 0.197
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 |
| Uncharacterized protein | 133 | 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 | |
| 2LO Query on 2LO | E [auth A], G [auth B], I [auth C], K [auth D] | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole C28 H33 Cl N4 O3 GEPYBHCJBORHCE-SFHVURJKSA-N |  | ||
| UNX Query on UNX | F [auth A], H [auth B], J [auth C] | UNKNOWN ATOM OR ION X |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.26 ?
- R-Value Free: 0.239
- R-Value Work: 0.195
- R-Value Observed: 0.197
- Space Group: P 41 21 2
- Diffraction Data: https://doi.org/10.18430/M36BYA
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 82.615 | ¦Á = 90 |
| b = 82.615 | ¦Â = 90 |
| c = 177.235 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| BUSTER | refinement |
| SCALEPACK | data scaling |
| PDB_EXTRACT | data extraction |
| HKL-3000 | data reduction |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2018-01-17 Deposition Author(s): Dong, A., Lin, Y.H., Loppnau, P., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Hui, R., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2018-01-17
Type: Initial release - Version 1.1: 2018-01-24
Changes: Database references, Structure summary - Version 1.2: 2023-10-04
Changes: Data collection, Database references, Refinement description
