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Structural insights into phosphoinositide 3-kinase activation by the influenza a virus NS1 protein

Analyse Structural insights into phosphoinositide 3-kinase activation by the influenza… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3L4Q
Type: protein
Length: 565 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Non-structural protein 1; Phosphatidylinositol 3-kinase regulatory subunit beta
UniProt: P03496, P23726
Pockets: 7 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-structural protein 1	protein	120	23% helix, 42% strand	P03496
C, D	Phosphatidylinositol 3-kinase regulatory subunit beta	protein	163	83% helix, 0% strand	P23726
B	Non-structural protein 1	protein	119	24% helix, 43% strand	P03496

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A, C, B, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	427	0.86	0.93	50	empty
2	113	0.52	0.82	26	empty
3	83	0.34	0.76	15	empty
4	65	0.34	0.77	15	empty
5	81	0.32	0.73	14	empty

Interfaces

5 interfaces between chains.

B–D · 865 Å² buried · 13 hydrogen bonds · protein-protein
A–C · 850 Å² buried · 10 hydrogen bonds · protein-protein
A–D · 558 Å² buried · 6 hydrogen bonds · protein-protein
C–B · 541 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 217 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3L4Q · Structural insights into phosphoinositide 3-kinase activation by the influenza A virus… · the same entry in another collection · chain A against A, TM-score 1.00
P23726 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 3-kinase regulatory subunit… · a predicted model of the same protein · chain C against A, TM-score 0.83

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 P03496
Every structure of UniProt P23726
Elsewhere: RCSB PDB 3L4Q · PDBe 3L4Q · UniProt P03496 · UniProt P23726

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