MolNFT v1 · #145734 · protein
Hepatitis B core-antigen in complex with Fab E21
6CWT · Fab E21 heavy chain: “Hepatitis B core-antigen in complex with Fab E21”. X-ray diffraction, 11 pockets (best druggability 0.64). MolNFT v1 #145734 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6CWT
- Type
- protein
- Length
- 1,081 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab E21 heavy chain; Fab E21 light chain; Capsid protein
- UniProt
- P03147
- Pockets
- 11 · best druggability 0.64
Structure
x-ray diffraction · 6 distinct chains · 15% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fab E21 heavy chain | protein | 214 | 4% helix, 43% strand | — |
| B | Fab E21 light chain | protein | 214 | 5% helix, 45% strand | — |
| C | Fab E21 heavy chain | protein | 200 | 6% helix, 47% strand | — |
| D | Fab E21 light chain | protein | 208 | 3% helix, 42% strand | — |
| E | Capsid protein | protein | 124 | 48% helix, 2% strand | P03147 |
| F | Capsid protein | protein | 121 | 52% helix, 0% strand | P03147 |
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 619 | 0.64 | 0.75 | 55 | empty |
| 2 | 653 | 0.64 | 0.74 | 65 | empty |
| 3 | 137 | 0.51 | 0.79 | 22 | empty |
| 4 | 55 | 0.45 | 0.83 | 15 | empty |
| 5 | 141 | 0.44 | 0.76 | 21 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1896 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1784 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1371 Ų buried · 17 hydrogen bonds · protein-protein
- D–F · 648 Ų buried · 8 hydrogen bonds · protein-protein
- B–E · 632 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 6CWT · Hepatitis B core-antigen in complex with Fab e21 · 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 P03147
- Elsewhere: RCSB PDB 6CWT · PDBe 6CWT · UniProt P03147
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