MolNFT v1 · #26760 · protein
Post-fusion hairpin conformation of the SARS coronavirus spike glycoprotein
1WYY · E2 glycoprotein: “Post-fusion hairpin conformation of the SARS coronavirus spike glycoprotein”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.68). MolNFT v1 #26760 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1WYY
- Type
- protein
- Length
- 250 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E2 glycoprotein
- UniProt
- P59594
- Ligands
- CL
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E2 glycoprotein | protein | 126 | 79% helix, 0% strand | P59594 |
| B | E2 glycoprotein | protein | 124 | 81% helix, 0% strand | P59594 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.68 | 0.93 | 20 | empty |
| 2 | 67 | 0.37 | 0.78 | 12 | empty |
| 3 | 71 | 0.36 | 0.77 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1019 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 1WYY · Post-fusion hairpin conformation of the sars coronavirus spike glycoprotein · the same entry in another collection · chain B against B, TM-score 1.00
- 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain B against E, TM-score 0.23
- 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain B against E, TM-score 0.23
- 3SCJ · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain B against E, TM-score 0.22
- 3SCJ · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain B against E, TM-score 0.22
- 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain A against E, TM-score 0.21
- 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain A against E, TM-score 0.21
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 P59594
- Elsewhere: RCSB PDB 1WYY · PDBe 1WYY · UniProt P59594
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