MolNFT v1 · #81921 · protein
Crystal structure of hepatitis B virus E-antigen
3V6Z · Fab E6 heavy chain: “Crystal structure of hepatitis B virus E-antigen”. X-ray diffraction, 13 pockets (best druggability 0.82). MolNFT v1 #81921 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3V6Z
- Type
- protein
- Length
- 1,176 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab E6 heavy chain; Fab E6 light chain; E-antigen
- UniProt
- Q9QMH8
- Pockets
- 13 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Fab E6 heavy chain | protein | 221 | 5% helix, 52% strand | — |
| B, D | Fab E6 light chain | protein | 219 | 6% helix, 53% strand | — |
| E, F | E-antigen | protein | 148 | 65% helix, 1% strand | Q9QMH8 |
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.82 | 0.93 | 36 | empty |
| 2 | 428 | 0.59 | 0.75 | 51 | empty |
| 3 | 419 | 0.58 | 0.75 | 50 | empty |
| 4 | 309 | 0.55 | 0.75 | 38 | empty |
| 5 | 181 | 0.47 | 0.76 | 26 | empty |
Interfaces
8 interfaces between chains.
- A–B · 2033 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 2026 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 868 Ų buried · 4 hydrogen bonds · protein-protein
- C–E · 612 Ų buried · 12 hydrogen bonds · protein-protein
- A–F · 605 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 3V6Z · Crystal Structure of Hepatitis B Virus e-antigen · the same entry in another collection · chain C against C, 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 Q9QMH8
- Elsewhere: RCSB PDB 3V6Z · PDBe 3V6Z · UniProt Q9QMH8
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