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Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A

Analyse Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UVN
Type
protein
Length
625 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Wd repeat-containing protein 5; Histone-lysine N-methyltransferase SETD1A
EC
2.1.1.43
UniProt
P61964, O15047
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 2% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CWd repeat-containing protein 5protein3040% helix, 51% strandP61964
BHistone-lysine N-methyltransferase SETD1A (EC 2.1.1.43)protein944% helix, 0% strandO15047
DHistone-lysine N-methyltransferase SETD1A (EC 2.1.1.43)protein850% helix, 0% strandO15047

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14740.740.8344empty
24940.740.8244empty
31270.430.7716empty
41150.420.7718empty
5840.360.7624empty

Interfaces

3 interfaces between chains.

  • A–B · 622 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 583 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 582 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 3UVN · Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A · the same entry in another collection · chain A against A, TM-score 1.00
  • O15047 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETD1A (O15047) · a predicted model of the same protein · chain D against A, TM-score 0.71

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