Research workbench
Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody MRCT10.V362
Analyse Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HS6
- Type
- protein
- Length
- 889 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MRCT10.V362 Fab light chain; MRCT10.V362 Fab heavy chain; E2-peptide
- UniProt
- Q9YK84
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, L | MRCT10.V362 Fab light chain | protein | 218 | 6% helix, 52% strand | — |
| B | MRCT10.V362 Fab heavy chain | protein | 214 | 7% helix, 55% strand | — |
| H | MRCT10.V362 Fab heavy chain | protein | 215 | 6% helix, 53% strand | — |
| Z, Y | E2-peptide | protein | 12 | 0% helix, 50% strand | Q9YK84 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.76 | 0.78 | 120 | empty |
| 2 | 756 | 0.73 | 0.78 | 83 | empty |
| 3 | 207 | 0.55 | 0.78 | 29 | empty |
| 4 | 64 | 0.53 | 0.88 | 23 | empty |
| 5 | 97 | 0.34 | 0.73 | 18 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1907 Ų buried · 17 hydrogen bonds · protein-protein
- L–H · 1853 Ų buried · 16 hydrogen bonds · protein-protein
- H–Y · 342 Ų buried · 5 hydrogen bonds · protein-protein
- L–Y · 340 Ų buried · 5 hydrogen bonds · protein-protein
- B–Z · 339 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 4HS6 · 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 4HS6 · PDBe 4HS6 · UniProt Q9YK84
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