MolNFT v1 · #53510 · protein
Physalis mottle virus: natural empty capsid
2WWS · Coat protein: “Physalis mottle virus: natural empty capsid”. X-ray diffraction, 6 pockets (best druggability 0.52). MolNFT v1 #53510 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2WWS
- Type
- protein
- Length
- 531 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coat protein
- UniProt
- P36351
- Pockets
- 6 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coat protein | protein | 161 | 12% helix, 45% strand | P36351 |
| B, C | Coat protein | protein | 185 | 10% helix, 41% strand | P36351 |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 236 | 0.52 | 0.76 | 31 | empty |
| 2 | 61 | 0.44 | 0.83 | 17 | empty |
| 3 | 56 | 0.37 | 0.80 | 17 | empty |
| 4 | 70 | 0.36 | 0.77 | 17 | empty |
| 5 | 59 | 0.32 | 0.77 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1007 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 736 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 609 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 2WWS · Physalis Mottle Virus: Natural Empty Capsid · 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 P36351
- Elsewhere: RCSB PDB 2WWS · PDBe 2WWS · UniProt P36351
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