Research workbench
Structural impact on SARS-cov-2 spike protein by D614G substitution
Analyse Structural impact on SARS-cov-2 spike protein by D614G substitution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KRQ
- Type
- protein
- Length
- 3,363 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein
- UniProt
- P0DTC2
- Ligands
- NAG, MAN, FUC
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 24% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Spike glycoprotein | protein | 1121 | 24% helix, 33% strand | P0DTC2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 90 copies · chains A, C, B
- MAN · alpha-D-mannopyranose · sugar · 21 copies
- FUC · alpha-L-fucopyranose · 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 | 690 | 0.86 | 0.90 | 97 | empty |
| 2 | 707 | 0.82 | 0.86 | 107 | empty |
| 3 | 521 | 0.81 | 0.88 | 55 | empty |
| 4 | 1007 | 0.81 | 0.82 | 106 | empty |
| 5 | 180 | 0.80 | 0.95 | 29 | empty |
Interfaces
3 interfaces between chains.
- A–C · 6710 Ų buried · 55 hydrogen bonds · protein-protein
- B–C · 6709 Ų buried · 56 hydrogen bonds · protein-protein
- A–B · 6690 Ų buried · 56 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 54 glycan, 31 disulfide (N-glycosylation, disulfide).
Compared structures
- 7KRQ · Structural impact on SARS-CoV-2 spike protein by D614G substitution · 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 7KRQ · PDBe 7KRQ · UniProt P0DTC2
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