MolNFT v1 · #92517 · protein
Structure of the broadly neutralizing antibody AP33 in complex with its HCV epitope (E2 residues 412-423)
4GAG · Neutralizing antibody AP33 heavy chain: “Structure of the broadly neutralizing antibody AP33 in complex with its HCV epitope (E2 residues 412-423)”. X-ray diffraction, 1 pocket (best druggability 0.66). MolNFT v1 #92517 on…
- PDB
- 4GAG
- Type
- protein
- Length
- 439 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neutralizing antibody AP33 heavy chain; Neutralizing antibody AP33 light chain; Genome…
- EC
- 3.4.22.-
- UniProt
- Q5EG65
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Neutralizing antibody AP33 heavy chain | protein | 212 | 4% helix, 54% strand | — |
| L | Neutralizing antibody AP33 light chain | protein | 215 | 6% helix, 54% strand | — |
| P | Genome polyprotein (EC 3.4.22.-) | protein | 12 | 0% helix, 50% strand | Q5EG65 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains H, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 658 | 0.66 | 0.76 | 59 | GOL |
Interfaces
3 interfaces between chains.
- H–L · 1859 Ų buried · 17 hydrogen bonds · protein-protein
- H–P · 349 Ų buried · 4 hydrogen bonds · protein-protein
- L–P · 312 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 1 modified (disulfide, cyclization).
Compared structures
- 4GAG · Structure of the broadly neutralizing antibody AP33 in complex with its HCV epitope (E2… · the same entry in another collection · chain H against H, 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 Q5EG65
- Elsewhere: RCSB PDB 4GAG · PDBe 4GAG · UniProt Q5EG65
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