1RPI
Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity
- PDB DOI: https://doi.org/10.2210/pdb1RPI/pdb
- Classification: HYDROLASE
- Organism(s): Human immunodeficiency virus 1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2003-12-03 Released: 2004-12-07
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.86 Å
- R-Value Free: 0.296
- R-Value Work: 0.217
- R-Value Observed: 0.217
wwPDB Validation 3D Report Full Report
This is version 1.6 of the entry. See complete history.
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): 3 Gene Names: HIV-1 EC: 3.4.23.16 |  | |
UniProt | |||||
Find proteins for Q9QM22 (Human immunodeficiency virus 1) Explore Q9QM22 Go to UniProtKB: Q9QM22 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9QM22 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GLC Query on GLC | C [auth A] | alpha-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.86 Å
- R-Value Free: 0.296
- R-Value Work: 0.217
- R-Value Observed: 0.217
- Space Group: P 41
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 45.076 | α = 90 |
| b = 45.076 | β = 90 |
| c = 105.518 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SHELX | model building |
| SHELXL-97 | refinement |
| MAR345 | data collection |
| XDS | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2004-12-07 Deposition Author(s): Logsdon, B.C., Vickrey, J.F., Martin, P., Proteasa, G., Koepke, J.I., Terlecky, S.R., Wawrzak, Z., Winters, M.A., Merigan, T.C., Kovari, L.C.
Revision History (Full details and data files)
- Version 1.0: 2004-12-07
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: 2017-10-11
Changes: Refinement description - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Data collection, Derived calculations, Structure summary - Version 1.5: 2021-10-27
Changes: Database references, Structure summary - Version 1.6: 2024-02-14
Changes: Data collection
