MolNFT v1 · #143672 · protein
2.4A resolution structure of human norovirus GII.4 protease
6B6I · 3C-like protease: “2.4A resolution structure of human norovirus GII.4 protease”. X-ray diffraction, 14 pockets (best druggability 0.72). MolNFT v1 #143672 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6B6I
- Type
- protein
- Length
- 1,409 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like protease
- UniProt
- A0A076EGG6
- Pockets
- 14 · best druggability 0.72
Structure
x-ray diffraction · 5 distinct chains · 8% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, G | 3C-like protease | protein | 173 | 6% helix, 50% strand | A0A076EGG6 |
| B | 3C-like protease | protein | 179 | 7% helix, 50% strand | A0A076EGG6 |
| D, F | 3C-like protease | protein | 178 | 10% helix, 47% strand | A0A076EGG6 |
| E | 3C-like protease | protein | 174 | 7% helix, 49% strand | A0A076EGG6 |
| H | 3C-like protease | protein | 181 | 8% helix, 48% strand | A0A076EGG6 |
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.72 | 0.96 | 22 | empty |
| 2 | 532 | 0.62 | 0.75 | 68 | empty |
| 3 | 187 | 0.52 | 0.78 | 36 | empty |
| 4 | 342 | 0.51 | 0.73 | 57 | empty |
| 5 | 221 | 0.48 | 0.75 | 25 | empty |
Interfaces
11 interfaces between chains.
- A–F · 1309 Ų buried · 31 hydrogen bonds · protein-protein
- B–E · 1288 Ų buried · 25 hydrogen bonds · protein-protein
- G–H · 950 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 874 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 848 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6B6I · 2.4A resolution structure of human Norovirus GII.4 protease · 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 A0A076EGG6
- Elsewhere: RCSB PDB 6B6I · PDBe 6B6I · UniProt A0A076EGG6
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