MolNFT v1 · #15072 · protein
Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
1MT8 · Protease retropepsin: “Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy”. X-ray diffraction, 1 pocket (best druggability 0.39). MolNFT v1 #15072 on GenesisL1: 3D structure…
- PDB
- 1MT8
- Type
- protein
- Length
- 206 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protease retropepsin; Capsid-P2 substrate peptide of HIV-1 gag polyprotein
- EC
- 3.4.23.16
- UniProt
- P03369, Q9YX54
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protease retropepsin (EC 3.4.23.16) | protein | 99 | 4% helix, 55% strand | P03369 |
| P | Capsid-P2 substrate peptide of HIV-1 gag polyprotein | protein | 8 | 0% helix, 50% strand | Q9YX54 |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains B, A, P
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 | 73 | 0.39 | 0.78 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1842 Ų buried · 36 hydrogen bonds · protein-protein
- B–P · 511 Ų buried · 10 hydrogen bonds · protein-protein
- A–P · 454 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1MT8 · Viability of a drug-resistant HIV-1 protease mutant: structural insights for better… · 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 P03369
- Every structure of UniProt Q9YX54
- Elsewhere: RCSB PDB 1MT8 · PDBe 1MT8 · UniProt P03369 · UniProt Q9YX54
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