Research workbench
Structure of SARS-cov-2 spike protein trimer (K986P, V987P, single arg S1/S2 cleavage site) in locked state
Analyse Structure of SARS-cov-2 spike protein trimer (K986P, V987P, single arg S1/S2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZP2
- Type
- protein
- Length
- 3,291 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein
- UniProt
- P0DTC2
- Ligands
- BLA, EIC, NAG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 1 distinct chain · 22% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Spike glycoprotein | protein | 1097 | 22% helix, 33% strand | P0DTC2 |
Ligands and binding sites
- BLA · Biliverdine IX alpha · ligand · 3 copies · chains A, B, C
- EIC · Linoleic acid · ligand · 3 copies · chains A, B, C
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 69 copies · chains A, B, C
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 | 554 | 0.85 | 0.90 | 49 | empty |
| 2 | 223 | 0.84 | 0.96 | 34 | EIC |
| 3 | 226 | 0.84 | 0.96 | 33 | EIC |
| 4 | 233 | 0.84 | 0.96 | 36 | EIC |
| 5 | 1026 | 0.84 | 0.85 | 120 | empty |
Interfaces
3 interfaces between chains.
- A–B · 6667 Ų buried · 58 hydrogen bonds · protein-protein
- B–C · 6568 Ų buried · 55 hydrogen bonds · protein-protein
- A–C · 6566 Ų buried · 55 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 45 disulfide, 42 glycan (disulfide, N-glycosylation).
Compared structures
- 6ZP2 · Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage… · 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 P0DTC2
- Elsewhere: RCSB PDB 6ZP2 · PDBe 6ZP2 · UniProt P0DTC2
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