Research workbench
Pestivirus NS3 helicase
Analyse Pestivirus NS3 helicase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CBI
- Type
- protein
- Length
- 1,721 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine protease NS3
- EC
- 3.4.21.113, 3.6.1.15, 3.6.4.13
- UniProt
- P19712
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine protease NS3 (EC 3.4.21.113, 3.6.1.15, 3.6.4.13) | protein | 393 | 41% helix, 20% strand | P19712 |
| B | Serine protease NS3 (EC 3.4.21.113, 3.6.1.15, 3.6.4.13) | protein | 419 | 42% helix, 20% strand | P19712 |
| C | Serine protease NS3 (EC 3.4.21.113, 3.6.1.15, 3.6.4.13) | protein | 453 | 40% helix, 21% strand | P19712 |
| D | Serine protease NS3 (EC 3.4.21.113, 3.6.1.15, 3.6.4.13) | protein | 456 | 39% helix, 22% strand | P19712 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 945 | 0.72 | 0.76 | 103 | empty |
| 2 | 843 | 0.71 | 0.76 | 71 | empty |
| 3 | 614 | 0.70 | 0.78 | 63 | empty |
| 4 | 445 | 0.69 | 0.80 | 46 | empty |
| 5 | 286 | 0.69 | 0.84 | 36 | empty |
Interfaces
5 interfaces between chains.
- A–D · 1292 Ų buried · 38 hydrogen bonds · protein-protein
- B–C · 1266 Ų buried · 35 hydrogen bonds · protein-protein
- B–D · 419 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 355 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 218 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4CBI · Pestivirus NS3 helicase · 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 P19712
- Elsewhere: RCSB PDB 4CBI · PDBe 4CBI · UniProt P19712
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