MolNFT v1 · #48869 · protein
Crystal structure of infectious bronchitis virus (ibv) main protease
2Q6D: “Crystal structure of infectious bronchitis virus (ibv) main protease”. X-ray diffraction, 7 pockets (best druggability 0.77). MolNFT v1 #48869 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2Q6D
- Type
- protein
- Length
- 905 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Infectious bronchitis virus (ibv) main protease
- EC
- 3.4.22.-
- UniProt
- Q3Y5H1
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 26% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Infectious bronchitis virus (ibv) main protease (EC 3.4.22.-) | protein | 296 | 24% helix, 29% strand | Q3Y5H1 |
| B | Infectious bronchitis virus (ibv) main protease (EC 3.4.22.-) | protein | 307 | 24% helix, 29% strand | Q3Y5H1 |
| C | Infectious bronchitis virus (ibv) main protease (EC 3.4.22.-) | protein | 302 | 28% helix, 28% strand | Q3Y5H1 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1182 | 0.77 | 0.79 | 120 | empty |
| 2 | 321 | 0.62 | 0.79 | 49 | empty |
| 3 | 294 | 0.58 | 0.78 | 43 | empty |
| 4 | 171 | 0.43 | 0.74 | 24 | empty |
| 5 | 151 | 0.43 | 0.74 | 31 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1541 Ų buried · 30 hydrogen bonds · protein-protein
- A–C · 581 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 245 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2Q6D · Crystal structure of infectious bronchitis virus (IBV) main 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 Q3Y5H1
- Elsewhere: RCSB PDB 2Q6D · PDBe 2Q6D · UniProt Q3Y5H1
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