MolNFT v1 · #6639 · protein
Structure of an inhibitor complex of proteinase from feline immunodeficiency virus
1FIV · Fiv protease: “Structure of an inhibitor complex of proteinase from feline immunodeficiency virus”. X-ray diffraction, 2 ligands (ACE, NH2), 2 pockets (best druggability 0.55). MolNFT v1 #6639 on GenesisL1: 3D structure, binding…
- PDB
- 1FIV
- Type
- protein
- Length
- 118 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fiv protease; Fiv protease inhibitor ACE-aln-val-sta-glu-aln-NH2
- EC
- 3.4.23.16
- UniProt
- P16088
- Ligands
- ACE, NH2
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fiv protease (EC 3.4.23.16) | protein | 113 | 8% helix, 47% strand | P16088 |
| B | Fiv protease inhibitor ACE-aln-val-sta-glu-aln-NH2 | protein | 5 | 0% helix, 20% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 229 | 0.55 | 0.77 | 28 | empty |
| 2 | 105 | 0.46 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 505 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified, 1 covalent (nonstandard, covalent ligand).
Compared structures
- 1FIV · Structure of an inhibitor complex of proteinase from feline immunodeficiency virus · 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 P16088
- Elsewhere: RCSB PDB 1FIV · PDBe 1FIV · UniProt P16088
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