MolNFT v1 · #151649 · protein
F97L hepatitis B core protein capsid
6HU4 · Capsid protein: “F97L hepatitis B core protein capsid”. Electron microscopy, 7 pockets (best druggability 0.76). MolNFT v1 #151649 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6HU4
- Type
- protein
- Length
- 603 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein
- UniProt
- P03146
- Pockets
- 7 · best druggability 0.76
Structure
electron microscopy · 5 distinct chains · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Capsid protein | protein | 151 | 68% helix, 0% strand | P03146 |
| A | Capsid protein | protein | 144 | 69% helix, 0% strand | P03146 |
| C | Capsid protein | protein | 147 | 69% helix, 0% strand | P03146 |
| D | Capsid protein | protein | 149 | 64% helix, 0% strand | P03146 |
| E, F, G, H | Capsid protein | protein | 3 | 0% helix, 0% strand | P03146 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.76 | 0.88 | 36 | empty |
| 2 | 250 | 0.71 | 0.86 | 43 | empty |
| 3 | 137 | 0.68 | 0.88 | 18 | empty |
| 4 | 110 | 0.59 | 0.85 | 25 | empty |
| 5 | 58 | 0.31 | 0.75 | 15 | empty |
Interfaces
8 interfaces between chains.
- B–A · 2039 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 2028 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1075 Ų buried · 9 hydrogen bonds · protein-protein
- B–E · 205 Ų buried · 1 hydrogen bond · protein-protein
- A–F · 194 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6HU4 · F97L Hepatitis B core protein capsid · the same entry in another collection · chain E against E, 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 P03146
- Elsewhere: RCSB PDB 6HU4 · PDBe 6HU4 · UniProt P03146
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