Research workbench
Crystal structure of influenza a NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, northeast structural genomics targets OR8C and HR6309A
Analyse Crystal structure of influenza a NS1A protein in complex with F2F3 fragment of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2RHK
- Type
- protein
- Length
- 361 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-structural protein 1; Cleavage and polyadenylation specificity factor subunit 4
- UniProt
- P03495, O95639
- Ligands
- ZN, NO3
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 24% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Non-structural protein 1 | protein | 119 | 24% helix, 42% strand | P03495 |
| C | Cleavage and polyadenylation specificity factor subunit 4 | protein | 63 | 21% helix, 8% strand | O95639 |
| D | Cleavage and polyadenylation specificity factor subunit 4 | protein | 60 | 27% helix, 8% strand | O95639 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains C, D
- NO3 · Nitrate ion · ion · 5 copies · chains A, B, D, C
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains 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 | 55 | 0.73 | 0.98 | 20 | empty |
| 2 | 214 | 0.56 | 0.79 | 34 | empty |
| 3 | 196 | 0.52 | 0.77 | 32 | NO3 |
Interfaces
6 interfaces between chains.
- B–D · 740 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 718 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 325 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 323 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 281 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2RHK · Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human… · the same entry in another collection · chain A against A, TM-score 1.00
- O95639 · AlphaFold monomer V2.0 prediction for cleavage and polyadenylation specificity factor… · a predicted model of the same protein · chain D against A, TM-score 0.86
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 P03495
- Every structure of UniProt O95639
- Elsewhere: RCSB PDB 2RHK · PDBe 2RHK · UniProt P03495 · UniProt O95639
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