Research workbench
Crystal structure of HTLV protease complexed with statine-containing peptide inhibitor
Analyse Crystal structure of HTLV protease complexed with statine-containing peptide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LIY
- Type
- protein
- Length
- 721 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protease; Statine-containing inhibitor
- UniProt
- Q82134
- Pockets
- 8 · best druggability 0.57
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Protease | protein | 116 | 8% helix, 44% strand | Q82134 |
| I | Statine-containing inhibitor | protein | 9 | 0% helix, 44% strand | — |
| J, K | Statine-containing inhibitor | protein | 8 | 0% helix, 50% strand | — |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 261 | 0.57 | 0.78 | 29 | empty |
| 2 | 210 | 0.56 | 0.79 | 22 | empty |
| 3 | 234 | 0.54 | 0.77 | 21 | empty |
| 4 | 88 | 0.38 | 0.76 | 17 | empty |
| 5 | 72 | 0.37 | 0.77 | 14 | empty |
Interfaces
12 interfaces between chains.
- A–B · 2035 Ų buried · 33 hydrogen bonds · protein-protein
- C–D · 2023 Ų buried · 34 hydrogen bonds · protein-protein
- E–F · 2019 Ų buried · 37 hydrogen bonds · protein-protein
- A–I · 621 Ų buried · 11 hydrogen bonds · protein-protein
- B–I · 596 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (nonstandard).
Compared structures
- 3LIY · crystal structure of HTLV protease complexed with Statine-containing peptide inhibitor · 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 Q82134
- Elsewhere: RCSB PDB 3LIY · PDBe 3LIY · UniProt Q82134
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.