MolNFT v1 · #156350 · protein
Cryo-EM structures of HKU2 spike glycoproteins
6M15: “Cryo-EM structures of HKU2 spike glycoproteins”. Electron microscopy, 2 ligands (NAG, BMA), 20 pockets (best druggability 0.89). MolNFT v1 #156350 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6M15
- Type
- protein
- Length
- 2,895 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein
- UniProt
- A8JNZ2
- Ligands
- NAG, BMA
- Pockets
- 20 · best druggability 0.89
Structure
electron microscopy · 1 distinct chain · 22% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, C | Spike glycoprotein | protein | 965 | 22% helix, 32% strand | A8JNZ2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 69 copies · chains B, A, C
- BMA · beta-D-mannopyranose · sugar · 3 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 822 | 0.89 | 0.91 | 95 | empty |
| 2 | 637 | 0.86 | 0.91 | 82 | empty |
| 3 | 743 | 0.85 | 0.88 | 81 | empty |
| 4 | 875 | 0.85 | 0.87 | 97 | empty |
| 5 | 743 | 0.85 | 0.88 | 80 | empty |
Interfaces
3 interfaces between chains.
- B–C · 5609 Ų buried · 61 hydrogen bonds · protein-protein
- A–C · 5601 Ų buried · 61 hydrogen bonds · protein-protein
- B–A · 5595 Ų buried · 60 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 45 disulfide, 45 glycan (disulfide, N-glycosylation).
Compared structures
- 6M15 · Cryo-EM structures of HKU2 spike glycoproteins · the same entry in another collection · chain B against B, 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 A8JNZ2
- Elsewhere: RCSB PDB 6M15 · PDBe 6M15 · UniProt A8JNZ2
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