MolNFT v1 · #63909 · protein
Crystal structure of pepstatin a bound histo-aspartic protease (hap) from plasmodium falciparum
3FNT · Hap protein: “Crystal structure of pepstatin a bound histo-aspartic protease (hap) from plasmodium falciparum”. X-ray diffraction, 1 ligand (IVA), 3 pockets (best druggability 0.73). MolNFT v1 #63909 on GenesisL1: 3D structure…
- PDB
- 3FNT
- Type
- protein
- Length
- 328 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hap protein; Inhibitor, (IVA)VV(STA)A(STA)
- UniProt
- Q8IM15
- Ligands
- IVA
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hap protein | protein | 323 | 8% helix, 41% strand | Q8IM15 |
| I | Inhibitor, (IVA)VV(STA)A(STA) | protein | 5 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 422 | 0.73 | 0.83 | 44 | empty |
| 2 | 132 | 0.41 | 0.75 | 19 | IVA |
| 3 | 109 | 0.40 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–I · 504 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified, 1 covalent (disulfide, nonstandard, covalent ligand).
Compared structures
- 3FNT · Crystal structure of pepstatin A bound histo-aspartic protease (HAP) from Plasmodium… · 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 Q8IM15
- Elsewhere: RCSB PDB 3FNT · PDBe 3FNT · UniProt Q8IM15
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