Download MendeleyEndothiapepsin in complex with ligand 69
Magari, F., Heine, A., Konstantinidou, M., Sutanto, F., Haupenthal, J., Jumde, R.V., Unver, M.Y., Camacho, C.J., Hirsch, A.K.H., Doemling, A., Klebe, G.To be published.
6SCV
Endothiapepsin in complex with ligand 69
- PDB DOI: https://doi.org/10.2210/pdb6SCV/pdb
- Classification: HYDROLASE
- Organism(s): Cryphonectria parasitica
- Mutation(s): No
- Deposited: 2019-07-25 Released: 2020-08-26
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.164
- R-Value Work: 0.140
- R-Value Observed: 0.141
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 |
| Endothiapepsin | 330 | Cryphonectria parasitica | Mutation(s): 0 EC: 3.4.23.22 |  | |
UniProt | |||||
Find proteins for P11838 (Cryphonectria parasitica) Explore P11838 Go to UniProtKB: P11838 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P11838 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| L7K (Subject of Investigation/LOI) Query on L7K | C [auth A] | [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane C16 H24 N6 RYAQXBFFYZPWMF-OAHLLOKOSA-N |  | ||
| GOL Query on GOL | B [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.164
- R-Value Work: 0.140
- R-Value Observed: 0.141
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 45.283 | α = 90 |
| b = 73.04 | β = 109.378 |
| c = 52.878 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2020-08-26 Deposition Author(s): Magari, F., Heine, A., Klebe, G.
Revision History (Full details and data files)
- Version 1.0: 2020-08-26
Type: Initial release
