MolNFT v1 · #178971 · protein
Crystal structure of ev-D68 2A protease C107A mutant
7JRE · Protease 2A: “Crystal structure of ev-D68 2A protease C107A mutant”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.74). MolNFT v1 #178971 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JRE
- Type
- protein
- Length
- 832 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protease 2A
- EC
- 3.4.22.29
- UniProt
- A0A097BW19
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 6 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protease 2A (EC 3.4.22.29) | protein | 138 | 7% helix, 54% strand | A0A097BW19 |
| B | Protease 2A (EC 3.4.22.29) | protein | 137 | 4% helix, 47% strand | A0A097BW19 |
| C | Protease 2A (EC 3.4.22.29) | protein | 139 | 4% helix, 47% strand | A0A097BW19 |
| D | Protease 2A (EC 3.4.22.29) | protein | 139 | 4% helix, 50% strand | A0A097BW19 |
| E | Protease 2A (EC 3.4.22.29) | protein | 142 | 15% helix, 53% strand | A0A097BW19 |
| F | Protease 2A (EC 3.4.22.29) | protein | 137 | 3% helix, 46% strand | A0A097BW19 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 813 | 0.74 | 0.78 | 78 | empty |
| 2 | 77 | 0.72 | 0.96 | 19 | empty |
| 3 | 106 | 0.71 | 0.93 | 21 | empty |
| 4 | 730 | 0.71 | 0.77 | 68 | empty |
| 5 | 101 | 0.61 | 0.87 | 23 | empty |
Interfaces
7 interfaces between chains.
- E–F · 832 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 738 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 715 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 469 Ų buried · 6 hydrogen bonds · protein-protein
- C–F · 369 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7JRE · Crystal structure of EV-D68 2A protease C107A 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 A0A097BW19
- Elsewhere: RCSB PDB 7JRE · PDBe 7JRE · UniProt A0A097BW19
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