MolNFT v1 · #94284 · protein
Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody HU5B3.V3
4HS8 · E2-peptide: “Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody HU5B3.V3”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.63). MolNFT v1 #94284 on GenesisL1: 3D…
- PDB
- 4HS8
- Type
- protein
- Length
- 455 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E2-peptide; Antibody HU5B3.V2 Fab heavy chain; Antibody HU5B3.V2 Fab light chain
- UniProt
- Q9YK84
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E2-peptide | protein | 12 | 0% helix, 42% strand | Q9YK84 |
| H | Antibody HU5B3.V2 Fab heavy chain | protein | 225 | 7% helix, 52% strand | — |
| L | Antibody HU5B3.V2 Fab light chain | protein | 218 | 6% helix, 54% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 640 | 0.63 | 0.74 | 64 | empty |
| 2 | 102 | 0.42 | 0.77 | 19 | empty |
| 3 | 79 | 0.36 | 0.76 | 17 | empty |
Interfaces
3 interfaces between chains.
- H–L · 2115 Ų buried · 20 hydrogen bonds · protein-protein
- A–H · 350 Ų buried · 3 hydrogen bonds · protein-protein
- A–L · 284 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 4HS8 · Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured… · 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 Q9YK84
- Elsewhere: RCSB PDB 4HS8 · PDBe 4HS8 · UniProt Q9YK84
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