MolNFT v1 · #177885 · protein
Crystal structure of ebinur lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester form)
7EX2 · Replicase: “Crystal structure of ebinur lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester…”. X-ray diffraction, 2 ligands (I0N, MN), 2 pockets (best druggability 0.38). MolNFT v1 #177885 on GenesisL1: 3D…
- PDB
- 7EX2
- Type
- protein
- Length
- 360 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Replicase
- EC
- 2.7.7.48
- UniProt
- A0A059WLS9
- Ligands
- I0N, MN
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Replicase (EC 2.7.7.48) | protein | 180 | 53% helix, 13% strand | A0A059WLS9 |
Ligands and binding sites
- I0N · methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.38 | 0.75 | 19 | empty |
| 2 | 95 | 0.32 | 0.73 | 19 | MN, I0N |
Interfaces
1 interface between chains.
- A–B · 493 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7EX2 · 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 7EX2 · PDBe 7EX2 · UniProt A0A059WLS9
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