Download MendeleySubstrate channel evolution of an esterase for the synthesis of Cilastatin
Luan, Z.J., L Li, F., Dou, S., Chen, Q., Kong, X.D., Zhou, J., Yu, H.L., Xu, J.H.(2015) Catal Sci Technol 5: 2622-2629
4RNC
Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013
- PDB DOI: https://doi.org/10.2210/pdb4RNC/pdb
- Classification: HYDROLASE
- Organism(s): Rhodococcus sp. ECU1013
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-10-23 Released: 2015-10-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.212
- R-Value Work: 0.161
- R-Value Observed: 0.164
wwPDB Validation 3D Report Full Report
This is version 1.2 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Esterase | 310 | Rhodococcus sp. ECU1013 | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for A0A088CB91 (Rhodococcus sp. ECU1013) Explore A0A088CB91 Go to UniProtKB: A0A088CB91 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A088CB91 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PO4 Query on PO4 | D [auth A], E [auth B], F [auth C] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.212
- R-Value Work: 0.161
- R-Value Observed: 0.164
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 212.926 | α = 90 |
| b = 45.383 | β = 105.82 |
| c = 77.443 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASES | phasing |
Entry History
Deposition Data
- Released Date: 2015-10-28 Deposition Author(s): Dou, S., Kong, X.D., Xu, J.H., Zhou, J.
Revision History (Full details and data files)
- Version 1.0: 2015-10-28
Type: Initial release - Version 1.1: 2017-11-22
Changes: Refinement description - Version 1.2: 2024-02-28
Changes: Data collection, Database references, Derived calculations
