MolNFT v1 · #111350 · protein
Crsystal structure HIV-1 protease MDR769 L33F complexed with darunavir
4YOA: “Crsystal structure HIV-1 protease MDR769 L33F complexed with darunavir”. X-ray diffraction, 1 ligand (017), 1 pocket (best druggability 0.47). MolNFT v1 #111350 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4YOA
- Type
- protein
- Length
- 99 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV-1 protease
- UniProt
- Q5RTL1
- Ligands
- 017
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HIV-1 protease | protein | 99 | 7% helix, 46% strand | Q5RTL1 |
Ligands and binding sites
- 017 · (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 147 | 0.47 | 0.77 | 21 | empty |
Compared structures
- 4YOA · Crsystal structure HIV-1 Protease MDR769 L33F Complexed with darunavir · 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 Q5RTL1
- Elsewhere: RCSB PDB 4YOA · PDBe 4YOA · UniProt Q5RTL1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.