Download MendeleyHIV-1 Protease (I84V) in Complex with UMass10
Lockbaum, G.J., Schiffer, C.A.To be published.
7MAA
HIV-1 Protease (I84V) in Complex with UMass10
- PDB DOI: https://doi.org/10.2210/pdb7MAA/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Human immunodeficiency virus type 1 (BRU ISOLATE)
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2021-03-31 Released: 2022-11-09
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.93 Å
- R-Value Free: 0.227
- R-Value Work: 0.182
- R-Value Observed: 0.185
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Protease | A [auth B], B [auth A] | 99 | Human immunodeficiency virus type 1 (BRU ISOLATE) | Mutation(s): 1 Gene Names: gag-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 | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| A61 (Subject of Investigation/LOI) Query on A61 | E [auth A] | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate C30 H39 N3 O7 S2 RAFDIRILGICCDS-OPUPNEDUSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.93 Å
- R-Value Free: 0.227
- R-Value Work: 0.182
- R-Value Observed: 0.185
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 51.183 | α = 90 |
| b = 57.928 | β = 90 |
| c = 62.24 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| Coot | model building |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-11-09 Deposition Author(s): Lockbaum, G.J., Schiffer, C.A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | P01-GM109767 |
Revision History (Full details and data files)
- Version 1.0: 2022-11-09
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Refinement description
