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MolNFT v1 · #164700 · protein

Crystal structure of DYRK1A complexed with KUFAL319 (compound 11)

6T6A: “Crystal structure of DYRK1A complexed with KUFAL319 (compound 11)”. X-ray diffraction, 2 ligands (MLW, SO4). MolNFT v1 #164700 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6T6A
Type
protein
Length
1,388 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q13627
Ligands
MLW, SO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D—protein347—Q13627

Ligands and binding sites

  • MLW · 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one · ligand · 3 copies · chains A, B, C
  • SO4 · Sulfate ion · ion · 13 copies · chains A, B, C, D
  • PG4 · Tetraethylene glycol · additive · 5 copies · chains A, B, C

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

Compared structures

  • 6T6A · Crystal structure of DYRK1A complexed with KuFal319 (compound 11) · the same entry in another collection · chain D against D, TM-score 1.00
  • Q13627 · AlphaFold monomer V2.0 prediction for dual specificity tyrosine… · a predicted model of the same protein · chain B against A, TM-score 0.99

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