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WDR5 in complex with influenza NS1 C-terminal tail

Analyse WDR5 in complex with influenza NS1 C-terminal tail in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4O45
Type
protein
Length
310 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Wd repeat-containing protein 5; Nonstructural protein 1
UniProt
P61964, Q9YP60
Ligands
UNX
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AWd repeat-containing protein 5protein3050% helix, 51% strandP61964
BNonstructural protein 1protein50% helix, 0% strandQ9YP60

Ligands and binding sites

  • UNX · Unknown atom or ion · ion · 17 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14940.730.8244UNX
2500.370.8015empty

Interfaces

1 interface between chains.

  • A–B · 395 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 4O45 · WDR5 in complex with influenza NS1 C-terminal tail · the same entry in another collection · chain A against A, TM-score 1.00

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