Research workbench
Crystal structure of HCV NS5B RNA polymerase complexed with a tetracyclic inhibitor
Analyse Crystal structure of HCV NS5B RNA polymerase complexed with a tetracyclic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2DXS
- Type
- protein
- Length
- 1,034 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome polyprotein
- EC
- 2.7.7.48
- UniProt
- P26663
- Ligands
- JTP
- Pockets
- 20 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Genome polyprotein (EC 2.7.7.48) | protein | 517 | 51% helix, 15% strand | P26663 |
Ligands and binding sites
- JTP · N-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-L-alanine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 354 | 0.68 | 0.81 | 61 | empty |
| 2 | 352 | 0.67 | 0.81 | 54 | empty |
| 3 | 328 | 0.59 | 0.77 | 43 | empty |
| 4 | 136 | 0.54 | 0.82 | 19 | empty |
| 5 | 133 | 0.52 | 0.81 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1769 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 2DXS · Crystal structure of HCV NS5B RNA polymerase complexed with a tetracyclic inhibitor · 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 2DXS · PDBe 2DXS · UniProt P26663
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.