Research workbench
Crystal structure of ev-D68 2A protease
Analyse Crystal structure of ev-D68 2A protease in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7MG0
- Type
- protein
- Length
- 841 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
- 11 · best druggability 0.71
Structure
x-ray diffraction · 5 distinct chains · 8% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Protease 2A (EC 3.4.22.29) | protein | 142 | 8% helix, 39% strand | A0A097BW19 |
| A, B | Protease 2A (EC 3.4.22.29) | protein | 141 | 6% helix, 48% strand | A0A097BW19 |
| C | Protease 2A (EC 3.4.22.29) | protein | 139 | 11% helix, 44% strand | A0A097BW19 |
| D | Protease 2A (EC 3.4.22.29) | protein | 138 | 7% helix, 41% strand | A0A097BW19 |
| F | Protease 2A (EC 3.4.22.29) | protein | 140 | 9% helix, 46% strand | A0A097BW19 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains E, A, B, C, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.71 | 0.96 | 20 | empty |
| 2 | 546 | 0.71 | 0.79 | 68 | empty |
| 3 | 113 | 0.67 | 0.90 | 27 | empty |
| 4 | 252 | 0.62 | 0.81 | 31 | empty |
| 5 | 323 | 0.62 | 0.78 | 44 | empty |
Interfaces
6 interfaces between chains.
- E–B · 885 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 808 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 564 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 485 Ų buried · 7 hydrogen bonds · protein-protein
- E–C · 330 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7MG0 · Crystal structure of EV-D68 2A protease · 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 7MG0 · PDBe 7MG0 · UniProt A0A097BW19
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