MolNFT v1 · #188383 · protein
Delta (B.1.617.2) SARS-cov-2 variant spike protein (S-gsas-delta) in the 1-rbd-up conformation; subclassification D12 state
7TP8 · Spike glycoprotein: “Delta (B.1.617.2) SARS-cov-2 variant spike protein (S-gsas-delta) in the 1-rbd-up conformation…”. Electron microscopy, 1 ligand (NAG), 20 pockets (best druggability 0.86). MolNFT v1 #188383 on GenesisL1: 3D…
- PDB
- 7TP8
- Type
- protein
- Length
- 2,983 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 · 3 distinct chains · 24% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spike glycoprotein | protein | 1005 | 23% helix, 31% strand | P0DTC2 |
| B | Spike glycoprotein | protein | 975 | 24% helix, 32% strand | P0DTC2 |
| C | Spike glycoprotein | protein | 1003 | 24% helix, 32% strand | P0DTC2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 58 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, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 676 | 0.86 | 0.90 | 71 | empty |
| 2 | 1156 | 0.84 | 0.85 | 119 | empty |
| 3 | 973 | 0.80 | 0.82 | 93 | empty |
| 4 | 315 | 0.75 | 0.87 | 49 | empty |
| 5 | 379 | 0.75 | 0.85 | 47 | empty |
Interfaces
3 interfaces between chains.
- A–C · 4828 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 4683 Ų buried · 43 hydrogen bonds · protein-protein
- B–C · 3976 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 46 glycan, 37 disulfide (N-glycosylation, disulfide).
Compared structures
- 7TP8 · Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up… · 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 7TP8 · PDBe 7TP8 · UniProt P0DTC2
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