MolNFT v1 · #163385 · protein

Crystal structure of DYRK1A with small molecule inhibitor

6S1H: “Crystal structure of DYRK1A with small molecule inhibitor”. X-ray diffraction, 2 ligands (KQZ, SO4). MolNFT v1 #163385 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6S1H
Type: protein
Length: 337 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q13627
Ligands: KQZ, SO4

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	337	—	Q13627

Ligands and binding sites

KQZ · ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine · ligand · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A
EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Compared structures

6S1H · Crystal Structure of DYRK1A with small molecule inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
Q13627 · AlphaFold monomer V2.0 prediction for dual specificity tyrosine… · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q13627
Elsewhere: RCSB PDB 6S1H · PDBe 6S1H · UniProt Q13627

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