MolNFT v1 · #52286 · protein
Crystal structure of a sporozoite protein essential for liver stage development of malaria parasite
2VWA · Putative uncharacterized protein PF13_0012: “Crystal structure of a sporozoite protein essential for liver stage development of malaria parasite”. X-ray diffraction, 1 ligand (PTY), 10 pockets (best druggability 0.66). MolNFT v1…
- PDB
- 2VWA
- Type
- protein
- Length
- 594 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein PF13_0012
- UniProt
- Q8IEU1
- Ligands
- PTY
- Pockets
- 10 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Putative uncharacterized protein PF13_0012 | protein | 99 | 69% helix, 0% strand | Q8IEU1 |
Ligands and binding sites
- PTY · Phosphatidylethanolamine · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 463 | 0.66 | 0.78 | 50 | empty |
| 2 | 201 | 0.49 | 0.76 | 20 | empty |
| 3 | 191 | 0.49 | 0.76 | 24 | empty |
| 4 | 165 | 0.48 | 0.77 | 31 | empty |
| 5 | 148 | 0.46 | 0.77 | 20 | empty |
Interfaces
6 interfaces between chains.
- C–D · 555 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 549 Ų buried · 4 hydrogen bonds · protein-protein
- B–E · 370 Ų buried · 8 hydrogen bonds · protein-protein
- C–F · 345 Ų buried · 8 hydrogen bonds · protein-protein
- A–F · 198 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 2VWA · Crystal structure of a sporozoite protein essential for liver stage development of… · 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 Q8IEU1
- Elsewhere: RCSB PDB 2VWA · PDBe 2VWA · UniProt Q8IEU1
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