MolNFT v1 · #157717 · protein
Crystal structure of GII.4 2002 norovirus P domain in complex with cross-reactive human antibody A1227
6N81 · Major capsid protein: “Crystal structure of GII.4 2002 norovirus P domain in complex with cross-reactive human antibody A1227”. X-ray diffraction, 16 pockets (best druggability 0.77). MolNFT v1 #157717 on GenesisL1: 3D structure…
- PDB
- 6N81
- Type
- protein
- Length
- 1,476 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major capsid protein; A1227 Fab light chain; A1227 Fab heavy chain
- UniProt
- R4I4P2
- Pockets
- 16 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Major capsid protein | protein | 306 | 5% helix, 35% strand | R4I4P2 |
| D, L | A1227 Fab light chain | protein | 211 | 7% helix, 52% strand | — |
| C | A1227 Fab heavy chain | protein | 217 | 6% helix, 50% strand | — |
| H | A1227 Fab heavy chain | protein | 225 | 9% helix, 53% strand | — |
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1189 | 0.77 | 0.79 | 91 | empty |
| 2 | 1163 | 0.77 | 0.79 | 99 | empty |
| 3 | 60 | 0.73 | 0.99 | 23 | empty |
| 4 | 377 | 0.69 | 0.82 | 70 | empty |
| 5 | 629 | 0.64 | 0.75 | 57 | empty |
Interfaces
9 interfaces between chains.
- H–L · 1888 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1806 Ų buried · 19 hydrogen bonds · protein-protein
- D–C · 1769 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 437 Ų buried · 5 hydrogen bonds · protein-protein
- A–H · 399 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6N81 · Crystal structure of GII.4 2002 norovirus P domain in complex with cross-reactive human… · 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 R4I4P2
- Elsewhere: RCSB PDB 6N81 · PDBe 6N81 · UniProt R4I4P2
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