MolNFT v2 · #73212 · protein
Crystal Structure of HIV-1 Protease Mutant I84V with Antiviral Drug Amprenavir
3NU9: “Crystal Structure of HIV-1 Protease Mutant I84V with Antiviral Drug Amprenavir”. X-ray diffraction at 1.85, 2 ligands (478, IOD), 1 pocket (best druggability 0.74). MolNFT v2 #73212 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3NU9
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.85
- Source
- Human immunodeficiency virus 1
- Molecule
- Protease
- EC
- 3.4.23.16
- UniProt
- P03366
- Ligands
- 478, IOD
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · resolution 1.85 · 1 distinct chain · 7% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protease (EC 3.4.23.16) | protein | 99 | 7% helix, 57% strand | P03366 |
Ligands and binding sites
- 478 · {3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester · ligand · chains A, B
- IOD · Iodide ion · ion · 30 copies · 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 | 395 | 0.74 | 0.84 | 38 | 478 |
Interfaces
1 interface between chains.
- A–B · 1875 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 3NU9 · Crystal structure of HIV-1 protease mutant I84V with antiviral drug amprenavir · 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 P03366
- Elsewhere: RCSB PDB 3NU9 · PDBe 3NU9 · UniProt P03366
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.