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Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor rk-73134

Analyse Crystal structure of human ALK2 kinase domain with R206H mutation in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7C3G
Type
protein
Length
586 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q04771
Ligands
FH0, SO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein294—Q04771
B—protein292—Q04771

Ligands and binding sites

  • FH0 · ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl) pyrimidin-2-amine · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 17 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, B

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

Compared structures

  • 7C3G · Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q04771 · AlphaFold monomer V2.0 prediction for activin receptor type-1 (Q04771) · a predicted model of the same protein · chain B against A, TM-score 0.96

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