Download MendeleyHigh resolution view of barbiturate recognition by a protein binding site
Oakley, S.H., Vedula, L.S., Xi, J., Liu, R., Eckenhoff, R.G., Loll, P.J.To be published.
3RAV
Horse spleen apo-ferritin with bound Pentobarbital
- PDB DOI: https://doi.org/10.2210/pdb3RAV/pdb
- Classification: METAL BINDING PROTEIN
- Organism(s): Equus caballus
- Mutation(s): No
- Deposited: 2011-03-28 Released: 2011-05-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.208
- R-Value Work: 0.174
- R-Value Observed: 0.176
This is version 1.3 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 |
| Ferritin light chain | 174 | Equus caballus | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for P02791 (Equus caballus) Explore P02791 Go to UniProtKB: P02791 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P02791 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| RAV Query on RAV | J [auth A] | 5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione C11 H18 N2 O3 WEXRUCMBJFQVBZ-ZETCQYMHSA-N |  | ||
| CD Query on CD | B [auth A] C [auth A] D [auth A] E [auth A] F [auth A] | CADMIUM ION Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | G [auth A], H [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.208
- R-Value Work: 0.174
- R-Value Observed: 0.176
- Space Group: F 4 3 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 182.48 | α = 90 |
| b = 182.48 | β = 90 |
| c = 182.48 | γ = 90 |
| Software Name | Purpose |
|---|---|
| d*TREK | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| CrystalClear | data collection |
| CrystalClear | data reduction |
| CrystalClear | data scaling |
Entry History
Deposition Data
- Released Date: 2011-05-11 Deposition Author(s): Oakley, S.H., Vedula, L.S., Xi, J., Liu, R., Eckenhoff, R.G., Loll, P.J.
Revision History (Full details and data files)
- Version 1.0: 2011-05-11
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2019-12-11
Changes: Advisory, Derived calculations - Version 1.3: 2024-02-21
Changes: Data collection, Database references, Derived calculations
