MolNFT v1 · #94238 · protein
Crystal structure of manganese-loaded plasmodium vivax trap protein
4HQN · Sporozoite surface protein 2: “Crystal structure of manganese-loaded plasmodium vivax trap protein”. X-ray diffraction, 4 ligands (FUC, BGC, MN), 3 pockets (best druggability 0.49). MolNFT v1 #94238 on GenesisL1: 3D structure…
- PDB
- 4HQN
- Type
- protein
- Length
- 510 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sporozoite surface protein 2
- UniProt
- Q9TVF0
- Ligands
- FUC, BGC, MN, CL
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sporozoite surface protein 2 | protein | 254 | 32% helix, 27% strand | Q9TVF0 |
| B | Sporozoite surface protein 2 | protein | 256 | 32% helix, 28% strand | Q9TVF0 |
Ligands and binding sites
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.49 | 0.77 | 22 | empty |
| 2 | 99 | 0.41 | 0.77 | 22 | empty |
| 3 | 52 | 0.29 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 682 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide, 2 glycan (disulfide, O-glycosylation).
Compared structures
- 4HQN · Crystal structure of manganese-loaded Plasmodium vivax TRAP protein · 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 Q9TVF0
- Elsewhere: RCSB PDB 4HQN · PDBe 4HQN · UniProt Q9TVF0
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