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WDR5DELTA23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-YL)BUTYL) acetamide

Analyse WDR5DELTA23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-YL)BUTYL) acetamide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PG6
Type
protein
Length
605 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Wd repeat-containing protein 5
UniProt
P61964
Ligands
OH7, SO4, CL
Pockets
2 · best druggability 0.76

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AWd repeat-containing protein 5protein3010% helix, 51% strandP61964
BWd repeat-containing protein 5protein3040% helix, 52% strandP61964

Ligands and binding sites

  • OH7 · N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16590.760.8164OH7, CL
26340.740.8162SO4, OH7

Compared structures

  • 6PG6 · WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide · the same entry in another collection · chain A against A, TM-score 1.00

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