MolNFT v1 · #22516 · protein
Crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V)
1T7J · Pol polyprotein: “Crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease…”. X-ray diffraction, 1 ligand (478), 1 pocket (best druggability 0.73). MolNFT v1 #22516 on GenesisL1: 3D…
- PDB
- 1T7J
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pol polyprotein
- EC
- 3.4.23.16
- UniProt
- P35963
- Ligands
- 478
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pol polyprotein (EC 3.4.23.16) | protein | 99 | 4% helix, 54% strand | P35963 |
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
- ACT · Acetate ion · additive · 4 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 | 398 | 0.73 | 0.83 | 37 | 478 |
Interfaces
1 interface between chains.
- A–B · 1849 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 1T7J · crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant… · 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 P35963
- Elsewhere: RCSB PDB 1T7J · PDBe 1T7J · UniProt P35963
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.