MolNFT v1 · #157729 · protein
Crystal structure of GII.4 2002 norovirus P domain in complex with neutralizing human antibody A1431
6N8D · Major capsid protein: “Crystal structure of GII.4 2002 norovirus P domain in complex with neutralizing human antibody A1431”. X-ray diffraction, 17 pockets (best druggability 0.75). MolNFT v1 #157729 on GenesisL1: 3D structure…
- PDB
- 6N8D
- Type
- protein
- Length
- 1,468 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major capsid protein; A1431 Fab light chain; A1431 Fab heavy chain
- UniProt
- R4I4P2
- Pockets
- 17 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A | Major capsid protein | protein | 306 | 4% helix, 36% strand | R4I4P2 |
| E, B | A1431 Fab light chain | protein | 212 | 3% helix, 46% strand | — |
| F, D | A1431 Fab heavy chain | protein | 216 | 7% helix, 49% strand | — |
Pockets
17 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.75 | 0.88 | 46 | empty |
| 2 | 1098 | 0.68 | 0.74 | 113 | empty |
| 3 | 108 | 0.66 | 0.90 | 21 | empty |
| 4 | 329 | 0.56 | 0.75 | 55 | empty |
| 5 | 138 | 0.55 | 0.81 | 20 | empty |
Interfaces
11 interfaces between chains.
- E–F · 1859 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 1783 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 617 Ų buried · 5 hydrogen bonds · protein-protein
- C–F · 595 Ų buried · 5 hydrogen bonds · protein-protein
- C–E · 436 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6N8D · Crystal structure of GII.4 2002 norovirus P domain in complex with neutralizing human… · 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 R4I4P2
- Elsewhere: RCSB PDB 6N8D · PDBe 6N8D · UniProt R4I4P2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.