Download MendeleyCrystal Structure of Cruzain bound to WRR-99
Brinen, L.S., Gillmor, S.A., Fletterick, R.J.To be published.
1EWL
CRYSTAL STRUCTURE OF CRUZAIN BOUND TO WRR-99
- PDB DOI: https://doi.org/10.2210/pdb1EWL/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Trypanosoma cruzi
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2000-04-26 Released: 2003-06-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.233
- R-Value Work: 0.171
- R-Value Observed: 0.171
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 |
| CRUZAIN | 215 | Trypanosoma cruzi | Mutation(s): 0 EC: 3.4.22 |  | |
UniProt | |||||
Find proteins for P25779 (Trypanosoma cruzi) Explore P25779 Go to UniProtKB: P25779 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P25779 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| R99 Query on R99 | B [auth A] | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE C19 H28 N2 O5 KVZMXOVSHIMGNA-CVEARBPZSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.233
- R-Value Work: 0.171
- R-Value Observed: 0.171
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.095 | α = 90 |
| b = 51.648 | β = 114.92 |
| c = 45.257 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| AMoRE | phasing |
| X-PLOR | refinement |
Entry History
Deposition Data
- Released Date: 2003-06-10 Deposition Author(s): Brinen, L.S., Gillmor, S.A., Fletterick, R.J.
Revision History (Full details and data files)
- Version 1.0: 2003-06-10
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Atomic model, Database references, Derived calculations, Non-polymer description, Structure summary, Version format compliance
