MolNFT v1 · #188606 · protein
Crystal structure of C77G12 Fab in complex with SARS-cov-2 S fusion peptide
7U0A: “Crystal structure of C77G12 Fab in complex with SARS-cov-2 S fusion peptide”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.50). MolNFT v1 #188606 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7U0A
- Type
- protein
- Length
- 451 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SARS-cov-2 S fusion peptide; Heavy chain Fab C77G12; Light chain Fab C77G12
- Ligands
- CL
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SARS-cov-2 S fusion peptide | protein | 13 | 54% helix, 0% strand | — |
| H | Heavy chain Fab C77G12 | protein | 225 | 8% helix, 49% strand | — |
| L | Light chain Fab C77G12 | protein | 213 | 6% helix, 50% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · chains H, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 284 | 0.50 | 0.73 | 41 | empty |
| 2 | 133 | 0.45 | 0.77 | 24 | CL |
Interfaces
3 interfaces between chains.
- H–L · 1993 Ų buried · 15 hydrogen bonds · protein-protein
- A–H · 604 Ų buried · 15 hydrogen bonds · protein-protein
- A–L · 202 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7U0A · Crystal Structure of C77G12 Fab in complex with SARS-CoV-2 S fusion peptide · 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
- Elsewhere: RCSB PDB 7U0A · PDBe 7U0A
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