Research workbench
WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6)
Analyse WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6W6S
- Type
- protein
- Length
- 232 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.29
- Source
- Human T-cell leukemia virus type I
- Molecule
- HTLV-1 Protease
- UniProt
- A0A1Y1C9N2
- Ligands
- TK7
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · resolution 2.29 · 1 distinct chain · 8% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | HTLV-1 Protease | protein | 116 | 8% helix, 41% strand | A0A1Y1C9N2 |
Ligands and binding sites
- TK7 · Diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2, 3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate · ligand · chains B, 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 470 | 0.73 | 0.81 | 36 | TK7 |
Interfaces
1 interface between chains.
- B–A · 1935 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 6W6S · Wt HTLV-1 protease in complex with phosphonated UMASS6 (PU6) · 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 A0A1Y1C9N2
- Elsewhere: RCSB PDB 6W6S · PDBe 6W6S · UniProt A0A1Y1C9N2
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