MolNFT v1 · #9477 · protein
Crystal structure of mahoney strain of poliovirus at 2.2A resolution
1HXS · Genome polyprotein, coat protein VP1: “Crystal structure of mahoney strain of poliovirus at 2.2A resolution”. X-ray diffraction, 2 ligands (PLM, MYR), 13 pockets (best druggability 0.77). MolNFT v1 #9477 on GenesisL1: 3D structure…
- PDB
- 1HXS
- Type
- protein
- Length
- 858 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome polyprotein, coat protein VP1; Genome polyprotein, coat protein VP2; Genome…
- UniProt
- P03300
- Ligands
- PLM, MYR
- Pockets
- 13 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 10% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 1 | Genome polyprotein, coat protein VP1 | protein | 288 | 9% helix, 32% strand | P03300 |
| 2 | Genome polyprotein, coat protein VP2 | protein | 267 | 14% helix, 37% strand | P03300 |
| 3 | Genome polyprotein, coat protein VP3 | protein | 235 | 8% helix, 30% strand | P03300 |
| 4 | Genome polyprotein, coat protein VP4 | protein | 68 | 10% helix, 16% strand | P03300 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 322 | 0.77 | 0.88 | 58 | PLM |
| 2 | 138 | 0.47 | 0.78 | 28 | empty |
| 3 | 80 | 0.41 | 0.79 | 18 | empty |
| 4 | 167 | 0.41 | 0.73 | 21 | empty |
| 5 | 79 | 0.36 | 0.76 | 16 | empty |
Interfaces
6 interfaces between chains.
- 1–3 · 3949 Ų buried · 70 hydrogen bonds · protein-protein
- 1–2 · 2388 Ų buried · 35 hydrogen bonds · protein-protein
- 2–3 · 1675 Ų buried · 21 hydrogen bonds · protein-protein
- 1–4 · 1409 Ų buried · 26 hydrogen bonds · protein-protein
- 3–4 · 868 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 lipid (myristoylation).
Compared structures
- 1HXS · Crystal structure of mahoney strain of poliovirus at 2.2A resolution · 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 1HXS · PDBe 1HXS · UniProt P03300
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