Crystal structure of influenza a NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, northeast structural genomics targets OR8C and HR6309A

Structure

x-ray diffraction · 3 distinct chains · 24% helix, 25% strand (DSSP).

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.

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