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X-ray structure of NS1 effector domain W187A mutant

Analyse X-ray structure of NS1 effector domain W187A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KWG
Type
protein
Length
255 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-structural protein 1
UniProt
P03495
Pockets
3 · best druggability 0.43

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANon-structural protein 1protein12225% helix, 40% strandP03495
BNon-structural protein 1protein13326% helix, 38% strandP03495

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11530.430.7528empty
21050.430.7823empty
3920.350.7416empty

Interfaces

1 interface between chains.

  • A–B · 84 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3KWG · X-ray structure of NS1 effector domain W187A mutant · the same entry in another collection · chain A against A, TM-score 1.00

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