Download MendeleyKinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
Prabu-Jeyabalan, M., King, N., Bandaranayake, R., Nalivaika, E., Schiffer, C.To be published.
3EM3
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
- PDB DOI: https://doi.org/10.2210/pdb3EM3/pdb
- Classification: HYDROLASE
- Organism(s): HIV-1 M:B_ARV2/SF2
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2008-09-23 Released: 2009-09-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.247
- R-Value Work: 0.186
- R-Value Observed: 0.188
This is version 1.5 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 | HIV-1 M:B_ARV2/SF2 | Mutation(s): 4 Gene Names: gag-pol, HIV-1 subtype B EC: 3.4.23.16 |  | |
UniProt | |||||
Find proteins for P03369 (Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)) Explore P03369 Go to UniProtKB: P03369 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P03369 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 478 Query on 478 | G [auth B] | {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER C25 H35 N3 O6 S YMARZQAQMVYCKC-OEMFJLHTSA-N |  | ||
| ACT Query on ACT | C [auth A], D [auth A], E [auth A], F [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.247
- R-Value Work: 0.186
- R-Value Observed: 0.188
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 51.16 | α = 90 |
| b = 57.907 | β = 90 |
| c = 61.21 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2009-09-01 Deposition Author(s): Prabu-Jeyabalan, M., King, N., Royer, C., Schiffer, C.
Revision History (Full details and data files)
- Version 1.0: 2009-09-01
Type: Initial release - Version 1.1: 2011-07-13
Changes: Advisory, Version format compliance - Version 1.2: 2017-10-25
Changes: Advisory, Refinement description - Version 1.3: 2018-01-24
Changes: Database references - Version 1.4: 2021-10-20
Changes: Advisory, Database references, Derived calculations - Version 1.5: 2023-09-06
Changes: Data collection, Refinement description
