Download MendeleyNortheast Structural Genomics Consortium Target OR51
Kuzin, A., Su, M., Seetharaman, J., Xiao, X., Sahdev, S., Ciccosanti, C., Richter, F., Everett, J.K., Acton, T.B., Montelione, G.T., Hunt, J.F., Tong, L.To be published.
4E88
CRYSTAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51
- PDB DOI: https://doi.org/10.2210/pdb4E88/pdb
- Classification: HYDROLASE
- Organism(s): synthetic construct
- Mutation(s): No
- Deposited: 2012-03-19 Released: 2012-04-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.215
- R-Value Work: 0.178
- R-Value Observed: 0.180
wwPDB Validation 3D Report Full Report
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 |
| DE NOVO DESIGNED CYSTEINE ESTERASE ECH13 | 208 | synthetic construct | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | B [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| Modified Residues 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| CSO Query on CSO | A | L-PEPTIDE LINKING | C3 H7 N O3 S |  | CYS |
| MSE Query on MSE | A | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.215
- R-Value Work: 0.178
- R-Value Observed: 0.180
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 87.994 | α = 90 |
| b = 61.745 | β = 128.95 |
| c = 59.384 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| ADSC | data collection |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| BALBES | phasing |
Entry History
Deposition Data
- Released Date: 2012-04-11 Deposition Author(s): Kuzin, A., Su, M., Seetharaman, J., Xiao, X., Sahdev, S., Ciccosanti, C., Richter, F., Everett, J.K., Acton, T.B., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Revision History (Full details and data files)
- Version 1.0: 2012-04-11
Type: Initial release - Version 1.1: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.2: 2023-12-06
Changes: Data collection
