MolNFT v1 · #174913 · protein
The interface of H014 Fab binds to SARS-cov-2 S
7CAH · Light chain of H014 Fab: “The interface of H014 Fab binds to SARS-cov-2 S”. Electron microscopy, 6 pockets (best druggability 0.72). MolNFT v1 #174913 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CAH
- Type
- protein
- Length
- 404 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Light chain of H014 Fab; Heavy chain of H014 Fab; Spike protein S1
- UniProt
- P0DTC2
- Pockets
- 6 · best druggability 0.72
Structure
electron microscopy · 3 distinct chains · 9% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Light chain of H014 Fab | protein | 105 | 0% helix, 43% strand | — |
| E | Heavy chain of H014 Fab | protein | 120 | 5% helix, 41% strand | — |
| A | Spike protein S1 | protein | 179 | 16% helix, 20% strand | P0DTC2 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 115 | 0.72 | 0.93 | 30 | empty |
| 2 | 70 | 0.70 | 0.95 | 21 | empty |
| 3 | 165 | 0.69 | 0.88 | 45 | empty |
| 4 | 57 | 0.48 | 0.85 | 22 | empty |
| 5 | 106 | 0.43 | 0.78 | 25 | empty |
Interfaces
3 interfaces between chains.
- D–E · 782 Ų buried · 2 hydrogen bonds · protein-protein
- E–A · 758 Ų buried · 9 hydrogen bonds · protein-protein
- D–A · 323 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7CAH · The interface of H014 Fab binds to SARS-CoV-2 S · the same entry in another collection · chain D against D, 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 7CAH · PDBe 7CAH · UniProt P0DTC2
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