MolNFT v1 · #142748 · protein
Crystals structure of classical swine fever virus NS5B (residues 1- 672, E472A mutant)
6AE7 · Rdrp catalytic: “Crystals structure of classical swine fever virus NS5B (residues 1- 672, E472A mutant)”. X-ray diffraction, 6 pockets (best druggability 0.83). MolNFT v1 #142748 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6AE7
- Type
- protein
- Length
- 642 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rdrp catalytic
- UniProt
- Q5U8X5
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rdrp catalytic | protein | 642 | 44% helix, 12% strand | Q5U8X5 |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 700 | 0.83 | 0.86 | 76 | empty |
| 2 | 441 | 0.70 | 0.81 | 41 | empty |
| 3 | 74 | 0.66 | 0.93 | 20 | empty |
| 4 | 83 | 0.41 | 0.78 | 17 | ACT |
| 5 | 84 | 0.39 | 0.77 | 20 | empty |
Compared structures
- 6AE7 · Crystals structure of Classical swine fever virus NS5B (residues 1-672, E472A mutant) · 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 Q5U8X5
- Elsewhere: RCSB PDB 6AE7 · PDBe 6AE7 · UniProt Q5U8X5
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