MolNFT v1 · #177419 · protein
Crystal structure of falcipain 2 from 3D7 strain
7EI0 · Cysteine proteinase falcipain 2A: “Crystal structure of falcipain 2 from 3D7 strain”. X-ray diffraction, 3 ligands (NA, SO4, CL), 3 pockets (best druggability 0.77). MolNFT v1 #177419 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7EI0
- Type
- protein
- Length
- 482 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine proteinase falcipain 2A
- EC
- 3.4.22.-
- UniProt
- Q8I6U4
- Ligands
- NA, SO4, CL
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cysteine proteinase falcipain 2A (EC 3.4.22.-) | protein | 241 | 25% helix, 24% strand | Q8I6U4 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- PGE · Triethylene glycol · additive · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.77 | 0.95 | 26 | empty |
| 2 | 194 | 0.59 | 0.81 | 28 | EDO |
| 3 | 258 | 0.54 | 0.77 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 631 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 2 modified (disulfide, alkylation).
Compared structures
- 7EI0 · Crystal structure of falcipain 2 from 3D7 strain · 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 Q8I6U4
- Elsewhere: RCSB PDB 7EI0 · PDBe 7EI0 · UniProt Q8I6U4
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