MolNFT v1 · #176056 · protein
Enterovirus 71 2A protease mutant- C110A in complex with peptide inhibitor
7DA6 · Polyprotein: “Enterovirus 71 2A protease mutant- C110A in complex with peptide inhibitor”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.33). MolNFT v1 #176056 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7DA6
- Type
- protein
- Length
- 142 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyprotein; Phe-arg-gly-lys
- UniProt
- E5L197
- Ligands
- ZN
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyprotein | protein | 138 | 8% helix, 54% strand | E5L197 |
| C | Phe-arg-gly-lys | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.33 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–C · 489 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7DA6 · Enterovirus 71 2A Protease mutant- C110A in complex with peptide 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 E5L197
- Elsewhere: RCSB PDB 7DA6 · PDBe 7DA6 · UniProt E5L197
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