MolNFT v1 · #37957 · protein
Crystal structure of falcipain-2 from plasmodium falciparum
2GHU · Falcipain 2: “Crystal structure of falcipain-2 from plasmodium falciparum”. X-ray diffraction, 8 pockets (best druggability 0.67). MolNFT v1 #37957 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GHU
- Type
- protein
- Length
- 962 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Falcipain 2
- EC
- 3.4.22.-
- UniProt
- Q9N6S8
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Falcipain 2 (EC 3.4.22.-) | protein | 241 | 26% helix, 22% strand | Q9N6S8 |
| C | Falcipain 2 (EC 3.4.22.-) | protein | 239 | 27% helix, 22% strand | Q9N6S8 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 577 | 0.67 | 0.77 | 67 | empty |
| 2 | 209 | 0.61 | 0.82 | 27 | empty |
| 3 | 203 | 0.61 | 0.82 | 31 | empty |
| 4 | 215 | 0.54 | 0.78 | 28 | empty |
| 5 | 223 | 0.52 | 0.77 | 28 | empty |
Interfaces
4 interfaces between chains.
- A–C · 654 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 599 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 380 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 212 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 2GHU · Crystal structure of falcipain-2 from Plasmodium falciparum · 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 Q9N6S8
- Elsewhere: RCSB PDB 2GHU · PDBe 2GHU · UniProt Q9N6S8
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