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MolNFT v1 · #156252 · protein

IRAK4 in complex with inhibitor

6LXY: “IRAK4 in complex with inhibitor”. X-ray diffraction, 2 ligands (EXF, SO4). MolNFT v1 #156252 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6LXY
Type
protein
Length
1,172 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9NWZ3
Ligands
EXF, SO4

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein294—Q9NWZ3
B—protein297—Q9NWZ3
D—protein293—Q9NWZ3
E—protein288—Q9NWZ3

Ligands and binding sites

  • EXF · N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide · ligand · 4 copies · chains A, B, D, E
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B, D, E

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

Compared structures

  • 6LXY · IRAK4 in complex with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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