MolNFT v1 · #138925 · protein
Crystal structure of zika virus NS5 methyltransferase bound to SAM and RNA analogue (M7GPPPA)
5WZ2 · NS5 mtase: “Crystal structure of zika virus NS5 methyltransferase bound to SAM and RNA analogue (M7GPPPA)”. X-ray diffraction, 2 ligands (SAM, GTA), 6 pockets (best druggability 0.77). MolNFT v1 #138925 on GenesisL1: 3D structure…
- PDB
- 5WZ2
- Type
- protein
- Length
- 777 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NS5 mtase
- UniProt
- A0A140E7U5
- Ligands
- SAM, GTA
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | NS5 mtase | protein | 259 | 36% helix, 15% strand | A0A140E7U5 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 3 copies · chains A, B, C
- GTA · P1-7-methylguanosine-P3-adenosine-5',5'-triphosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.77 | 0.82 | 86 | SAM |
| 2 | 799 | 0.70 | 0.76 | 60 | empty |
| 3 | 489 | 0.66 | 0.78 | 47 | SAM |
| 4 | 277 | 0.64 | 0.81 | 33 | SAM |
| 5 | 87 | 0.48 | 0.82 | 17 | empty |
Interfaces
2 interfaces between chains.
- A–B · 400 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 174 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5WZ2 · Crystal structure of Zika virus NS5 methyltransferase bound to SAM and RNA analogue… · 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 A0A140E7U5
- Elsewhere: RCSB PDB 5WZ2 · PDBe 5WZ2 · UniProt A0A140E7U5
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