MolNFT v1 · #172973 · protein

Structure of DYRK1A in complex with compound 58

7AKE: “Structure of DYRK1A in complex with compound 58”. X-ray diffraction, 2 ligands (RK8, CL). MolNFT v1 #172973 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7AKE
Type: protein
Length: 668 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q13627
Ligands: RK8, CL

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	333	—	Q13627
B	—	protein	335	—	Q13627

Ligands and binding sites

RK8 · 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine · ligand · 2 copies · chains A, B
CL · Chloride ion · ion · chains B

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

Compared structures

7AKE · Structure of DYRK1A in complex with compound 58 · 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 7AKE · PDBe 7AKE · UniProt Q13627

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