MolNFT v1 · #1143 · protein
P1/MAHONEY poliovirus, at cryogenic temperature
1ASJ: “P1/MAHONEY poliovirus, at cryogenic temperature”. X-ray diffraction, 2 ligands (SPH, MYR), 12 pockets (best druggability 0.79). MolNFT v1 #1143 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ASJ
- Type
- protein
- Length
- 851 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P1/MAHONEY poliovirus
- UniProt
- P03300, P03299
- Ligands
- SPH, MYR
- Pockets
- 12 · best druggability 0.79
Structure
x-ray diffraction · 5 distinct chains · 10% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 0 | P1/MAHONEY poliovirus | protein | 5 | 0% helix, 60% strand | — |
| 1 | P1/MAHONEY poliovirus | protein | 283 | 10% helix, 31% strand | P03300 |
| 2 | P1/MAHONEY poliovirus | protein | 268 | 13% helix, 38% strand | P03300 |
| 3 | P1/MAHONEY poliovirus | protein | 235 | 8% helix, 30% strand | P03300 |
| 4 | P1/MAHONEY poliovirus | protein | 60 | 12% helix, 18% strand | P03299 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 639 | 0.79 | 0.84 | 80 | SPH |
| 2 | 131 | 0.46 | 0.78 | 27 | empty |
| 3 | 135 | 0.42 | 0.75 | 33 | empty |
| 4 | 188 | 0.42 | 0.73 | 27 | empty |
| 5 | 79 | 0.42 | 0.79 | 17 | empty |
Interfaces
7 interfaces between chains.
- 1–3 · 3952 Ų buried · 71 hydrogen bonds · protein-protein
- 1–2 · 2382 Ų buried · 40 hydrogen bonds · protein-protein
- 2–3 · 1677 Ų buried · 22 hydrogen bonds · protein-protein
- 1–4 · 1185 Ų buried · 18 hydrogen bonds · protein-protein
- 3–4 · 870 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 lipid (myristoylation).
Compared structures
- 1ASJ · P1/MAHONEY poliovirus, at cryogenic temperature · the same entry in another collection · chain 2 against 2, 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 P03300
- Every structure of UniProt P03299
- Elsewhere: RCSB PDB 1ASJ · PDBe 1ASJ · UniProt P03300 · UniProt P03299
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