MolNFT v1 · #56621 · protein
Structure of hepatitis C virus NS5B polymerase in a new crystal form
2ZKU · Genome polyprotein: “Structure of hepatitis C virus NS5B polymerase in a new crystal form”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #56621 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2ZKU
- Type
- protein
- Length
- 2,244 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome polyprotein
- EC
- 2.7.7.48
- UniProt
- Q99AU2
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Genome polyprotein (EC 2.7.7.48) | protein | 562 | 48% helix, 15% strand | Q99AU2 |
| B | Genome polyprotein (EC 2.7.7.48) | protein | 561 | 49% helix, 15% strand | Q99AU2 |
| C | Genome polyprotein (EC 2.7.7.48) | protein | 563 | 48% helix, 16% strand | Q99AU2 |
| D | Genome polyprotein (EC 2.7.7.48) | protein | 558 | 48% helix, 16% strand | Q99AU2 |
Ligands and binding sites
- ACY · Acetic acid · additive · 7 copies · chains A, B, C, D
- GOL · Glycerol · additive · 7 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1084 | 0.80 | 0.82 | 79 | empty |
| 2 | 986 | 0.80 | 0.81 | 85 | GOL |
| 3 | 1060 | 0.80 | 0.81 | 82 | GOL |
| 4 | 923 | 0.79 | 0.81 | 82 | empty |
| 5 | 568 | 0.69 | 0.78 | 51 | empty |
Interfaces
3 interfaces between chains.
- A–B · 446 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 426 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 259 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2ZKU · Structure of hepatitis C virus NS5B polymerase in a new crystal form · 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 Q99AU2
- Elsewhere: RCSB PDB 2ZKU · PDBe 2ZKU · UniProt Q99AU2
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