MolNFT v1 · #99851 · protein
Crystal structural analysis of 2A protease from coxsackievirus A16
4MG3 · Protease 2A: “Crystal structural analysis of 2A protease from coxsackievirus A16”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.74). MolNFT v1 #99851 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MG3
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protease 2A
- EC
- 3.4.22.29
- UniProt
- Q9QF31
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protease 2A (EC 3.4.22.29) | protein | 142 | 12% helix, 52% strand | Q9QF31 |
| B | Protease 2A (EC 3.4.22.29) | protein | 145 | 14% helix, 51% strand | Q9QF31 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 403 | 0.74 | 0.84 | 60 | TRS |
| 2 | 62 | 0.29 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 544 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4MG3 · Crystal Structural Analysis of 2A Protease from Coxsackievirus A16 · 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 Q9QF31
- Elsewhere: RCSB PDB 4MG3 · PDBe 4MG3 · UniProt Q9QF31
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