MolNFT v1 · #148852 · protein
Structural studies of HIV and fiv proteases complexed with an efficient inhibitor of fiv pr
6FIV · Retropepsin: “Structural studies of HIV and fiv proteases complexed with an efficient inhibitor of fiv pr”. X-ray diffraction, 2 ligands (3TL, SO4), 2 pockets (best druggability 0.54). MolNFT v1 #148852 on GenesisL1: 3D structure…
- PDB
- 6FIV
- Type
- protein
- Length
- 112 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retropepsin
- EC
- 3.4.23.16
- UniProt
- P16088
- Ligands
- 3TL, SO4
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retropepsin (EC 3.4.23.16) | protein | 112 | 6% helix, 46% strand | P16088 |
Ligands and binding sites
- 3TL · benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
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 | 216 | 0.54 | 0.77 | 23 | empty |
| 2 | 74 | 0.32 | 0.74 | 15 | empty |
Compared structures
- 6FIV · Structural studies of HIV and fiv proteases complexed with an efficient inhibitor of fiv… · 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 6FIV · PDBe 6FIV · UniProt P16088
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