MolNFT v1 · #179726 · protein
SARS-cov-2 D614G 3 rbd down spike protein trimer without the P986-P987 stabilizing mutations (S-gsas-D614G sub-classification)
7KE8 · Spike glycoprotein: “SARS-cov-2 D614G 3 rbd down spike protein trimer without the P986-P987 stabilizing mutations (S-gsas-D614G…”. Electron microscopy, 1 ligand (NAG), 20 pockets (best druggability 0.85). MolNFT v1 #179726 on…
- PDB
- 7KE8
- Type
- protein
- Length
- 2,957 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 · 24% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spike glycoprotein | protein | 981 | 23% helix, 34% strand | P0DTC2 |
| B | Spike glycoprotein | protein | 984 | 24% helix, 33% strand | P0DTC2 |
| C | Spike glycoprotein | protein | 992 | 24% helix, 32% strand | P0DTC2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 63 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 | 1059 | 0.85 | 0.86 | 109 | empty |
| 2 | 1012 | 0.82 | 0.83 | 103 | empty |
| 3 | 1100 | 0.80 | 0.82 | 125 | empty |
| 4 | 678 | 0.80 | 0.85 | 81 | empty |
| 5 | 742 | 0.79 | 0.83 | 79 | empty |
Interfaces
3 interfaces between chains.
- B–C · 5761 Ų buried · 50 hydrogen bonds · protein-protein
- A–B · 5443 Ų buried · 45 hydrogen bonds · protein-protein
- A–C · 5310 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 glycan, 36 disulfide (N-glycosylation, disulfide).
Compared structures
- 7KE8 · SARS-CoV-2 D614G 3 RBD down Spike Protein Trimer without the P986-P987 stabilizing… · 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 7KE8 · PDBe 7KE8 · UniProt P0DTC2
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