Research workbench
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-121
Analyse X-ray crystal structure of wild type HIV-1 protease in complex with GRL-121 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TYR
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Human immunodeficiency virus 1
- Molecule
- Protease
- UniProt
- C8B467
- Ligands
- 7O7
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · resolution 1.8 · 1 distinct chain · 7% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protease | protein | 99 | 7% helix, 56% strand | C8B467 |
Ligands and binding sites
- 7O7 · (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.68 | 0.81 | 34 | 7O7 |
Interfaces
1 interface between chains.
- A–B · 1853 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 5TYR · X-ray crystal structure of wild type HIV-1 protease in complex with grl-121 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt C8B467
- Elsewhere: RCSB PDB 5TYR · PDBe 5TYR · UniProt C8B467
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.