Research workbench
Structure of HCV protease (bk strain)
Analyse Structure of HCV protease (bk strain) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NS3
- Type
- protein
- Length
- 382 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NS3 protease; NS4A peptide
- UniProt
- P26663
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NS3 protease | protein | 178 | 15% helix, 42% strand | P26663 |
| C, D | NS4A peptide | protein | 13 | 0% helix, 69% strand | P26663 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.68 | 0.88 | 26 | empty |
| 2 | 568 | 0.67 | 0.77 | 65 | empty |
| 3 | 59 | 0.31 | 0.76 | 18 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1257 Ų buried · 29 hydrogen bonds · protein-protein
- B–D · 1217 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 886 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 86 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 36 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1NS3 · Structure of HCV protease (bk strain) · 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 P26663
- Elsewhere: RCSB PDB 1NS3 · PDBe 1NS3 · UniProt P26663
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