MolNFT v1 · #190236 · protein
Cryo-EM structure of SARS-cov-2 S2P trimer in complex with neutralizing antibody vacw-209 (local refinement)
7WON · Spike protein S1: “Cryo-EM structure of SARS-cov-2 S2P trimer in complex with neutralizing antibody vacw-209 (local refinement)”. Electron microscopy, 1 ligand (NAG), 4 pockets (best druggability 0.52). MolNFT v1 #190236 on…
- PDB
- 7WON
- Type
- protein
- Length
- 425 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike protein S1; Vacw-209 light chain; Vacw-209 heavy chain
- UniProt
- P0DTC2, A0A5C2GQT9
- Ligands
- NAG
- Pockets
- 4 · best druggability 0.52
Structure
electron microscopy · 3 distinct chains · 1% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Spike protein S1 | protein | 183 | 3% helix, 20% strand | P0DTC2 |
| L | Vacw-209 light chain | protein | 111 | 0% helix, 38% strand | A0A5C2GQT9 |
| H | Vacw-209 heavy chain | protein | 131 | 0% helix, 44% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.52 | 0.80 | 22 | empty |
| 2 | 163 | 0.49 | 0.77 | 28 | empty |
| 3 | 82 | 0.43 | 0.80 | 15 | empty |
| 4 | 144 | 0.42 | 0.75 | 20 | empty |
Interfaces
3 interfaces between chains.
- L–H · 962 Ų buried · 8 hydrogen bonds · protein-protein
- F–H · 721 Ų buried · 6 hydrogen bonds · protein-protein
- F–L · 457 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7WON · Cryo-EM structure of SARS-CoV-2 S2P trimer in complex with neutralizing antibody VacW-209… · the same entry in another collection · chain F against F, 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 P0DTC2
- Every structure of UniProt A0A5C2GQT9
- Elsewhere: RCSB PDB 7WON · PDBe 7WON · UniProt P0DTC2 · UniProt A0A5C2GQT9
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