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X-ray structure of influenza virus NS1 effector domain

Analyse X-ray structure of influenza virus NS1 effector domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2GX9
Type: protein
Length: 249 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NS1 effector domain
UniProt: Q71QT3
Ligands: SCN
Pockets: 1 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NS1 effector domain	protein	127	21% helix, 39% strand	Q71QT3
B	NS1 effector domain	protein	122	26% helix, 41% strand	Q71QT3

Ligands and binding sites

SCN · Thiocyanate ion · ion · 3 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	150	0.46	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 659 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

2GX9 · X-ray structure of influenza virus NS1 effector 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 Q71QT3
Elsewhere: RCSB PDB 2GX9 · PDBe 2GX9 · UniProt Q71QT3

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