Research workbench
Structural basis of zika virus methyltransferase inhibition by sinefungin
Analyse Structural basis of zika virus methyltransferase inhibition by sinefungin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5MRK
- Type
- protein
- Length
- 505 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyltransferase
- UniProt
- A0A1B0YUR2
- Ligands
- SFG, CL
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methyltransferase | protein | 260 | 38% helix, 16% strand | A0A1B0YUR2 |
| B | Methyltransferase | protein | 245 | 36% helix, 17% strand | A0A1B0YUR2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 483 | 0.64 | 0.77 | 58 | SFG, CL |
| 2 | 446 | 0.62 | 0.76 | 46 | SFG, CL |
| 3 | 272 | 0.50 | 0.74 | 37 | empty |
| 4 | 161 | 0.42 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 261 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5MRK · Structural basis of Zika virus methyltransferase inhibition by sinefungin · 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 A0A1B0YUR2
- Elsewhere: RCSB PDB 5MRK · PDBe 5MRK · UniProt A0A1B0YUR2
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