Download MendeleyProduct of enzymatic self-cleavage bound in the active site of HIV protease
Vondrackova, E., Hasek, J., Jaskolski, M., Rezacova, P., Dohnalek, J., Skalova, T., Petrokova, H., Duskova, J., Brynda, J., Sedlacek, J.To be published.
1SP5
Crystal structure of HIV-1 protease complexed with a product of autoproteolysis
- PDB DOI: https://doi.org/10.2210/pdb1SP5/pdb
- Classification: HYDROLASE
- Organism(s): Human immunodeficiency virus 1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2004-03-16 Released: 2005-07-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.211
- R-Value Work: 0.177
- R-Value Observed: 0.178
wwPDB Validation 3D Report Full Report
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 |
| Protease | 99 | Human immunodeficiency virus 1 | Mutation(s): 0 Gene Names: POL EC: 3.4.23.16 |  | |
UniProt | |||||
Find proteins for P03367 (Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)) Explore P03367 Go to UniProtKB: P03367 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P03367 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 5-mer peptide from Protease | C [auth I] | 5 | Human immunodeficiency virus 1 | Mutation(s): 0 Gene Names: POL |  |
UniProt | |||||
Find proteins for P03367 (Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)) Explore P03367 Go to UniProtKB: P03367 | |||||
Entity Groups | |||||
| UniProt Group | P03367 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| DMS Query on DMS | H [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
| BME Query on BME | F [auth A], G [auth A], J [auth B] | BETA-MERCAPTOETHANOL C2 H6 O S DGVVWUTYPXICAM-UHFFFAOYSA-N |  | ||
| CL Query on CL | D [auth A], E [auth A], I [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.211
- R-Value Work: 0.177
- R-Value Observed: 0.178
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 57.765 | α = 90 |
| b = 86.284 | β = 90 |
| c = 45.834 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2005-07-19 Deposition Author(s): Vondrackova, E., Hasek, J., Jaskolski, M., Rezacova, P., Dohnalek, J., Skalova, T., Petrokova, H., Duskova, J., Brynda, J., Sedlacek, J.
Revision History (Full details and data files)
- Version 1.0: 2005-07-19
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2023-10-25
Changes: Data collection, Database references, Derived calculations, Refinement description
