Research workbench
Ly-COV481 neutralizing antibody against SARS-cov-2
Analyse Ly-COV481 neutralizing antibody against SARS-cov-2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KMI
- Type
- protein
- Length
- 627 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ly-COV481 Fab heavy chain; Ly-COV481 Fab light chain; Spike protein S1
- UniProt
- P0DTC2
- Ligands
- NAG
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ly-COV481 Fab heavy chain | protein | 218 | 8% helix, 52% strand | — |
| B | Ly-COV481 Fab light chain | protein | 213 | 6% helix, 53% strand | — |
| C | Spike protein S1 | protein | 196 | 18% helix, 30% strand | P0DTC2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains C
- GOL · Glycerol · additive · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.68 | 0.97 | 20 | empty |
| 2 | 393 | 0.55 | 0.74 | 53 | empty |
| 3 | 109 | 0.54 | 0.83 | 19 | empty |
| 4 | 235 | 0.50 | 0.75 | 33 | empty |
| 5 | 99 | 0.34 | 0.73 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1849 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 679 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 505 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7KMI · LY-CoV481 neutralizing antibody against SARS-CoV-2 · 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 7KMI · PDBe 7KMI · UniProt P0DTC2
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