MolNFT v1 · #177071 · protein
Viral protease
7E6K · 3C-like proteinase: “Viral protease”. X-ray diffraction, 2 ligands (HYR, SO4), 3 pockets (best druggability 0.47). MolNFT v1 #177071 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7E6K
- Type
- protein
- Length
- 305 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Ligands
- HYR, SO4
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.69) | protein | 305 | 25% helix, 29% strand | P0DTD1 |
Ligands and binding sites
- HYR · N-(2-phenoxyethyl)methanethioamide · ligand · 3 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 204 | 0.47 | 0.75 | 33 | HYR, DMS |
| 2 | 70 | 0.32 | 0.75 | 14 | empty |
| 3 | 50 | 0.28 | 0.75 | 12 | empty |
Modifications
Observed in the structure: 3 covalent (covalent ligand).
Compared structures
- 7E6K · Viral protease · 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 P0DTD1
- Elsewhere: RCSB PDB 7E6K · PDBe 7E6K · UniProt P0DTD1
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