Research workbench
The SARS-cov-2 spike in complex with the 2.15 neutralizing nanobody
Analyse The SARS-cov-2 spike in complex with the 2.15 neutralizing nanobody in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7R4I
- Type
- protein
- Length
- 3,423 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein; Camel-derived nanobody 2.15
- UniProt
- P0DTC2
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.87
Structure
electron microscopy · 4 distinct chains · 19% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spike glycoprotein | protein | 1057 | 20% helix, 29% strand | P0DTC2 |
| B | Spike glycoprotein | protein | 1056 | 20% helix, 29% strand | P0DTC2 |
| C | Spike glycoprotein | protein | 1060 | 18% helix, 29% strand | P0DTC2 |
| D, E | Camel-derived nanobody 2.15 | protein | 125 | 4% helix, 36% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 43 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 | 695 | 0.87 | 0.92 | 105 | empty |
| 2 | 801 | 0.84 | 0.87 | 95 | empty |
| 3 | 604 | 0.80 | 0.85 | 67 | empty |
| 4 | 170 | 0.77 | 0.93 | 38 | empty |
| 5 | 709 | 0.75 | 0.80 | 57 | empty |
Interfaces
6 interfaces between chains.
- B–C · 4474 Ų buried · 46 hydrogen bonds · protein-protein
- A–B · 4303 Ų buried · 44 hydrogen bonds · protein-protein
- A–C · 4148 Ų buried · 40 hydrogen bonds · protein-protein
- B–E · 833 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 743 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 disulfide, 25 glycan (disulfide, N-glycosylation).
Compared structures
- 7R4I · The SARS-CoV-2 spike in complex with the 2.15 neutralizing nanobody · 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 7R4I · PDBe 7R4I · UniProt P0DTC2
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