MolNFT v1 · #78591 · protein
Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza B virus, northeast structural genomics consortium target ids HX6481, HR2873, and OR2
3SDL · Non-structural protein 1: “Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza B virus, northeast…”. X-ray diffraction, 6 pockets (best druggability 0.60). MolNFT v1 #78591 on GenesisL1: 3D…
- PDB
- 3SDL
- Type
- protein
- Length
- 494 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-structural protein 1; Ubiquitin-like protein ISG15
- UniProt
- P03502, P05161
- Pockets
- 6 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-structural protein 1 | protein | 95 | 71% helix, 0% strand | P03502 |
| B | Non-structural protein 1 | protein | 97 | 61% helix, 0% strand | P03502 |
| C, D | Ubiquitin-like protein ISG15 | protein | 151 | 23% helix, 32% strand | P05161 |
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 | 136 | 0.60 | 0.84 | 17 | empty |
| 2 | 222 | 0.56 | 0.78 | 25 | empty |
| 3 | 317 | 0.55 | 0.75 | 34 | empty |
| 4 | 185 | 0.50 | 0.77 | 23 | empty |
| 5 | 65 | 0.32 | 0.76 | 21 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2068 Ų buried · 28 hydrogen bonds · protein-protein
- A–C · 551 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 497 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 432 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 348 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3SDL · Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza B… · the same entry in another collection · chain A against A, TM-score 1.00
- P05161 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein ISG15 (P05161) · a predicted model of the same protein · chain C against A, TM-score 0.94
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 P03502
- Every structure of UniProt P05161
- Elsewhere: RCSB PDB 3SDL · PDBe 3SDL · UniProt P03502 · UniProt P05161
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