MolNFT v1 · #181476 · protein
Crystal structure of ev-D68 2A protease N84T mutant
7LW2 · Protease 2A: “Crystal structure of ev-D68 2A protease N84T mutant”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.72). MolNFT v1 #181476 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7LW2
- Type
- protein
- Length
- 851 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
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E, A, B, D, F | Protease 2A (EC 3.4.22.29) | protein | 142 | 10% helix, 45% strand | A0A097BW19 |
| C | Protease 2A (EC 3.4.22.29) | protein | 141 | 11% helix, 49% strand | A0A097BW19 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains E, B, A, C, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 89 | 0.72 | 0.95 | 20 | empty |
| 2 | 445 | 0.62 | 0.76 | 60 | empty |
| 3 | 105 | 0.49 | 0.81 | 24 | empty |
| 4 | 130 | 0.40 | 0.74 | 28 | empty |
| 5 | 68 | 0.35 | 0.77 | 13 | empty |
Interfaces
7 interfaces between chains.
- E–B · 845 Ų buried · 4 hydrogen bonds · protein-protein
- E–A · 541 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 514 Ų buried · 10 hydrogen bonds · protein-protein
- C–F · 505 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 189 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7LW2 · Crystal structure of EV-D68 2A protease N84T mutant · the same entry in another collection · chain E against E, 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 7LW2 · PDBe 7LW2 · UniProt A0A097BW19
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