MolNFT v1 · #182186 · protein
Cryo-EM structure of the SARS-cov-2 N501Y mutant spike protein ectodomain
7MJG · Spike glycoprotein: “Cryo-EM structure of the SARS-cov-2 N501Y mutant spike protein ectodomain”. Electron microscopy, 1 ligand (NAG), 20 pockets (best druggability 0.86). MolNFT v1 #182186 on GenesisL1: 3D structure, binding sites…
- PDB
- 7MJG
- Type
- protein
- Length
- 3,120 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein
- UniProt
- P0DTC2
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 21% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Spike glycoprotein | protein | 1040 | 21% helix, 35% strand | P0DTC2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 60 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, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1117 | 0.86 | 0.87 | 133 | empty |
| 2 | 651 | 0.86 | 0.91 | 81 | empty |
| 3 | 943 | 0.81 | 0.83 | 109 | empty |
| 4 | 518 | 0.79 | 0.86 | 69 | empty |
| 5 | 377 | 0.77 | 0.87 | 41 | empty |
Interfaces
3 interfaces between chains.
- B–C · 5135 Ų buried · 39 hydrogen bonds · protein-protein
- A–C · 4866 Ų buried · 52 hydrogen bonds · protein-protein
- A–B · 4599 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 disulfide, 42 glycan (disulfide, N-glycosylation).
Compared structures
- 7MJG · Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain · 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 7MJG · PDBe 7MJG · UniProt P0DTC2
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