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MolNFT v1 · #126405 · protein

Modulation of MLL1 methyltransferase activity

5M23 · Wd repeat-containing protein 5: “Modulation of MLL1 methyltransferase activity”. X-ray diffraction, 1 ligand (7DC), 1 pocket (best druggability 0.75). MolNFT v1 #126405 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5M23
Type
protein
Length
300 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Wd repeat-containing protein 5
UniProt
P61964
Ligands
7DC
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AWd repeat-containing protein 5protein3000% helix, 52% strandP61964

Ligands and binding sites

  • 7DC · 4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16320.750.81657DC

Compared structures

  • 5M23 · Modulation of MLL1 Methyltransferase Activity · the same entry in another collection · chain A against A, TM-score 1.00
  • P61964 · AlphaFold monomer V2.0 prediction for wd repeat-containing protein 5 (P61964) · a predicted model of the same protein · chain A against A, TM-score 1.00

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