MolNFT v1 · #107265 · protein
Sporozoite protein for cell traversal
4U5A · Sporozoite microneme protein essential for cell traversal: “Sporozoite protein for cell traversal”. X-ray diffraction, 11 pockets (best druggability 0.72). MolNFT v1 #107265 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4U5A
- Type
- protein
- Length
- 713 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sporozoite microneme protein essential for cell traversal
- UniProt
- Q75UY1
- Pockets
- 11 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sporozoite microneme protein essential for cell traversal | protein | 180 | 83% helix, 0% strand | Q75UY1 |
| B | Sporozoite microneme protein essential for cell traversal | protein | 184 | 80% helix, 0% strand | Q75UY1 |
| C | Sporozoite microneme protein essential for cell traversal | protein | 172 | 85% helix, 0% strand | Q75UY1 |
| D | Sporozoite microneme protein essential for cell traversal | protein | 177 | 80% helix, 0% strand | Q75UY1 |
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.72 | 0.97 | 14 | empty |
| 2 | 142 | 0.72 | 0.90 | 24 | empty |
| 3 | 60 | 0.71 | 0.97 | 14 | empty |
| 4 | 130 | 0.71 | 0.91 | 25 | empty |
| 5 | 808 | 0.69 | 0.75 | 62 | empty |
Interfaces
5 interfaces between chains.
- B–D · 695 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 684 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 151 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 132 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 33 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4U5A · Sporozoite Protein for Cell Traversal · 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 Q75UY1
- Elsewhere: RCSB PDB 4U5A · PDBe 4U5A · UniProt Q75UY1
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