MolNFT v1 · #53084 · protein
Dimeric structure of D347G D348G mutant of the sapporovirus RNA dependent RNA polymerase
2WK4 · Protease-polymerase P70: “Dimeric structure of D347G D348G mutant of the sapporovirus RNA dependent RNA polymerase”. X-ray diffraction, 9 pockets (best druggability 0.72). MolNFT v1 #53084 on GenesisL1: 3D structure, binding sites…
- PDB
- 2WK4
- Type
- protein
- Length
- 1,001 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protease-polymerase P70
- EC
- 3.4.22.66
- UniProt
- Q69014
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protease-polymerase P70 (EC 3.4.22.66) | protein | 499 | 43% helix, 16% strand | Q69014 |
| B | Protease-polymerase P70 (EC 3.4.22.66) | protein | 502 | 43% helix, 15% strand | Q69014 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 950 | 0.72 | 0.76 | 71 | empty |
| 2 | 888 | 0.71 | 0.76 | 75 | empty |
| 3 | 55 | 0.70 | 0.98 | 19 | empty |
| 4 | 602 | 0.69 | 0.78 | 71 | GOL |
| 5 | 423 | 0.60 | 0.76 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 1635 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 2WK4 · Dimeric structure of D347G D348G mutant of the sapporovirus RNA dependent RNA polymerase · 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 Q69014
- Elsewhere: RCSB PDB 2WK4 · PDBe 2WK4 · UniProt Q69014
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