MolNFT v1 · #177888 · protein
Crystal structure of ebinur lake virus cap snatching endonuclease in complex with inhibitor 11
7EX6 · Replicase: “Crystal structure of ebinur lake virus cap snatching endonuclease in complex with inhibitor 11”. X-ray diffraction, 2 ligands (11I, MN), 5 pockets (best druggability 0.59). MolNFT v1 #177888 on GenesisL1: 3D structure…
- PDB
- 7EX6
- Type
- protein
- Length
- 702 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Replicase
- EC
- 2.7.7.48
- UniProt
- A0A059WLS9
- Ligands
- 11I, MN
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Replicase (EC 2.7.7.48) | protein | 180 | 52% helix, 13% strand | A0A059WLS9 |
| B | Replicase (EC 2.7.7.48) | protein | 172 | 52% helix, 14% strand | A0A059WLS9 |
| C | Replicase (EC 2.7.7.48) | protein | 179 | 50% helix, 13% strand | A0A059WLS9 |
| D | Replicase (EC 2.7.7.48) | protein | 171 | 52% helix, 14% strand | A0A059WLS9 |
Ligands and binding sites
- 11I · Methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl) piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate · ligand · 4 copies · chains A, B, C, D
- MN · Manganese (II) ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 366 | 0.59 | 0.76 | 36 | empty |
| 2 | 166 | 0.51 | 0.78 | 27 | empty |
| 3 | 215 | 0.49 | 0.75 | 28 | empty |
| 4 | 51 | 0.30 | 0.76 | 10 | empty |
| 5 | 55 | 0.24 | 0.72 | 16 | empty |
Interfaces
5 interfaces between chains.
- B–D · 508 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 336 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 331 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 127 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 19 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7EX6 · Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with… · 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 A0A059WLS9
- Elsewhere: RCSB PDB 7EX6 · PDBe 7EX6 · UniProt A0A059WLS9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.