MolNFT v1 · #177283 · protein
Cryo-EM structure of SARS-cov-2 S-uk variant (B.1.1.7), two rbd-up conformation
7EDI · Spike glycoprotein: “Cryo-EM structure of SARS-cov-2 S-uk variant (B.1.1.7), two rbd-up conformation”. Electron microscopy, 1 ligand (NAG), 20 pockets (best druggability 0.85). MolNFT v1 #177283 on GenesisL1: 3D structure, binding…
- PDB
- 7EDI
- Type
- protein
- Length
- 3,048 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 0.85
Structure
electron microscopy · 3 distinct chains · 20% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spike glycoprotein | protein | 1024 | 20% helix, 28% strand | P0DTC2 |
| B | Spike glycoprotein | protein | 1016 | 20% helix, 26% strand | P0DTC2 |
| C | Spike glycoprotein | protein | 1008 | 21% helix, 29% strand | P0DTC2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 78 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 672 | 0.85 | 0.89 | 64 | empty |
| 2 | 964 | 0.85 | 0.86 | 123 | empty |
| 3 | 1021 | 0.80 | 0.82 | 93 | empty |
| 4 | 473 | 0.80 | 0.87 | 66 | empty |
| 5 | 744 | 0.78 | 0.82 | 72 | empty |
Interfaces
3 interfaces between chains.
- B–C · 4603 Ų buried · 40 hydrogen bonds · protein-protein
- A–C · 4333 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 4296 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 46 glycan, 37 disulfide (N-glycosylation, disulfide).
Compared structures
- 7EDI · Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), two RBD-up conformation · 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 7EDI · PDBe 7EDI · UniProt P0DTC2
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