Download MendeleySmall molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
Jehle, S., Brenke, R., Vajda, S., Allen, K.N., Kozakov, D.To be published.
4NEM
Small molecular fragment bound to crystal contact interface of Interleukin-2
- PDB DOI: https://doi.org/10.2210/pdb4NEM/pdb
- Classification: IMMUNE SYSTEM
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2013-10-29 Released: 2014-11-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.93 Å
- R-Value Free: 0.259
- R-Value Work: 0.207
- R-Value Observed: 0.209
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 |
| Interleukin-2 | 130 | Homo sapiens | Mutation(s): 0 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P60568 (Homo sapiens) Explore P60568 Go to UniProtKB: P60568 | |||||
PHAROS: P60568 GTEx: ENSG00000109471 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P60568 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 2JY Query on 2JY | B [auth A] | 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid C12 H8 Cl2 O4 DGUXQMFHNWGUES-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.93 Å
- R-Value Free: 0.259
- R-Value Work: 0.207
- R-Value Observed: 0.209
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 31.709 | α = 90 |
| b = 48.544 | β = 90 |
| c = 79.767 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| PHENIX | model building |
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHENIX | phasing |
Entry History
Deposition Data
- Released Date: 2014-11-19 Deposition Author(s): Jehle, S., Brenke, R., Vajda, S., Allen, K.N., Kozakov, D.
Revision History (Full details and data files)
- Version 1.0: 2014-11-19
Type: Initial release
