MolNFT v1 · #164414 · protein + RNA
Dsrna recognition by R38AK41A mutant of H7N1 NS1 RNA binding domain
6SX2 · Non-structural protein 1: “Dsrna recognition by R38AK41A mutant of H7N1 NS1 RNA binding domain”. X-ray diffraction, 3 pockets (best druggability 0.74). MolNFT v1 #164414 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6SX2
- Type
- protein + RNA
- Length
- 182 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-structural protein 1; RNA (5'- R(*GP*GP*UP*AP*AP*CP*UP*GP*UP*UP*AP*CP*AP*GP*UP*UP*AP*C…
- UniProt
- Q1PST0
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 85% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Non-structural protein 1 | protein | 72 | 85% helix, 0% strand | Q1PST0 |
| C, D | RNA (5'- R(*GP*GP*UP*AP*AP*CP*UP*GP*UP*UP*AP*CP*AP*GP*UP*UP*AP*CP*C)-3') | rna | 19 | — | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 732 | 0.74 | 0.80 | 46 | EDO |
| 2 | 56 | 0.69 | 0.97 | 13 | EDO |
| 3 | 50 | 0.68 | 0.97 | 12 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1225 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 883 Ų buried · 86 hydrogen bonds · nucleic-nucleic
- A–C · 337 Ų buried · 1 hydrogen bond · protein-nucleic
- B–D · 328 Ų buried · 0 hydrogen bonds · protein-nucleic
- A–D · 287 Ų buried · 3 hydrogen bonds · protein-nucleic
Compared structures
- 6SX2 · dsRNA recognition by R38AK41A mutant of H7N1 NS1 RNA Binding Domain · 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 Q1PST0
- Elsewhere: RCSB PDB 6SX2 · PDBe 6SX2 · UniProt Q1PST0
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