Research workbench
Poliovirus (type 1, mahoney) in complex with R80633, an inhibitor of viral replication
Analyse Poliovirus (type 1, mahoney) in complex with R80633, an inhibitor of viral… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PO1
- Type
- protein
- Length
- 853 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poliovirus type 1 mahoney
- UniProt
- P03300
- Ligands
- J80, MYR
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 5 distinct chains · 10% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 0 | Poliovirus type 1 mahoney | protein | 5 | 0% helix, 40% strand | — |
| 1 | Poliovirus type 1 mahoney | protein | 283 | 8% helix, 31% strand | P03300 |
| 2 | Poliovirus type 1 mahoney | protein | 268 | 13% helix, 37% strand | P03300 |
| 3 | Poliovirus type 1 mahoney | protein | 235 | 10% helix, 30% strand | P03300 |
| 4 | Poliovirus type 1 mahoney | protein | 62 | 11% helix, 16% strand | — |
Ligands and binding sites
- J80 · (methylpyridazine piperidine butyloxyphenyl)ethylacetate · ligand · chains 1, 3
- MYR · Myristic acid · ligand · chains 0, 4
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 730 | 0.80 | 0.84 | 91 | J80 |
| 2 | 50 | 0.66 | 0.96 | 22 | empty |
| 3 | 135 | 0.45 | 0.77 | 28 | empty |
| 4 | 69 | 0.43 | 0.81 | 13 | empty |
| 5 | 162 | 0.41 | 0.74 | 25 | empty |
Interfaces
7 interfaces between chains.
- 1–3 · 3932 Ų buried · 75 hydrogen bonds · protein-protein
- 1–2 · 2415 Ų buried · 44 hydrogen bonds · protein-protein
- 2–3 · 1662 Ų buried · 22 hydrogen bonds · protein-protein
- 1–4 · 1166 Ų buried · 17 hydrogen bonds · protein-protein
- 3–4 · 855 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 lipid (myristoylation).
Compared structures
- 1PO1 · Poliovirus (type 1, mahoney) in complex with R80633, an inhibitor of viral replication · the same entry in another collection · chain 1 against 1, 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
- Elsewhere: RCSB PDB 1PO1 · PDBe 1PO1 · UniProt P03300
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