Research workbench
S protein of SARS-cov-2 in complex with GW01
Analyse S protein of SARS-cov-2 in complex with GW01 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7EPX
- Type
- protein
- Length
- 3,862 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein; Heavy chain of GW01; Light chain of GW01
- UniProt
- P0DTC2
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 5 distinct chains · 19% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spike glycoprotein | protein | 1007 | 21% helix, 32% strand | P0DTC2 |
| B | Spike glycoprotein | protein | 1006 | 20% helix, 31% strand | P0DTC2 |
| C | Spike glycoprotein | protein | 971 | 21% helix, 33% strand | P0DTC2 |
| H, I | Heavy chain of GW01 | protein | 228 | 4% helix, 48% strand | — |
| L, M | Light chain of GW01 | protein | 211 | 5% helix, 39% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 71 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, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 918 | 0.86 | 0.88 | 124 | empty |
| 2 | 639 | 0.82 | 0.86 | 69 | empty |
| 3 | 547 | 0.81 | 0.88 | 74 | empty |
| 4 | 1105 | 0.80 | 0.81 | 104 | empty |
| 5 | 915 | 0.75 | 0.79 | 69 | empty |
Interfaces
9 interfaces between chains.
- A–C · 4505 Ų buried · 42 hydrogen bonds · protein-protein
- B–C · 4250 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 3959 Ų buried · 25 hydrogen bonds · protein-protein
- I–M · 1900 Ų buried · 12 hydrogen bonds · protein-protein
- H–L · 1898 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 glycan, 46 disulfide (N-glycosylation, disulfide).
Compared structures
- 7EPX · S protein of SARS-CoV-2 in complex with GW01 · 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 7EPX · PDBe 7EPX · UniProt P0DTC2
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