Research workbench
The structure of msp-1(19) from plasmodium knowlesi
Analyse The structure of msp-1(19) from plasmodium knowlesi in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1N1I
- Type
- protein
- Length
- 364 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Merozoite surface protein-1
- UniProt
- Q9GSQ9
- Ligands
- HIS
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 4 distinct chains · 8% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Merozoite surface protein-1 | protein | 91 | 8% helix, 31% strand | Q9GSQ9 |
| B | Merozoite surface protein-1 | protein | 93 | 8% helix, 32% strand | Q9GSQ9 |
| C | Merozoite surface protein-1 | protein | 93 | 4% helix, 30% strand | Q9GSQ9 |
| D | Merozoite surface protein-1 | protein | 87 | 11% helix, 34% strand | Q9GSQ9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 555 | 0.65 | 0.76 | 59 | IMD |
| 2 | 241 | 0.56 | 0.78 | 29 | empty |
| 3 | 150 | 0.54 | 0.80 | 36 | empty |
| 4 | 92 | 0.43 | 0.79 | 22 | empty |
| 5 | 98 | 0.42 | 0.78 | 22 | empty |
Interfaces
4 interfaces between chains.
- A–D · 436 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 330 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 309 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 229 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide (disulfide).
Compared structures
- 1N1I · The structure of MSP-1(19) from Plasmodium knowlesi · the same entry in another collection · chain C against C, 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 Q9GSQ9
- Elsewhere: RCSB PDB 1N1I · PDBe 1N1I · UniProt Q9GSQ9
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