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MolNFT v1 · #133686 · protein

Xchem group deposition -- crystal structure of human ACVR1 in complex with FM010933A

5S7Y: “Xchem group deposition -- crystal structure of human ACVR1 in complex with FM010933A”. X-ray diffraction, 3 ligands (XJP, LU8, SO4). MolNFT v1 #133686 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5S7Y
Type
protein
Length
573 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q04771
Ligands
XJP, LU8, SO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein283—Q04771
B—protein290—Q04771

Ligands and binding sites

  • XJP · (2S,4R)-1,3-thiazolidine-2,4-diamine · ligand · 5 copies · chains B
  • LU8 · 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine · ligand · 4 copies · chains A, B
  • SO4 · Sulfate ion · ion · 7 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 13 copies · chains A, B
  • DMS · Dimethyl sulfoxide · additive · 2 copies · chains B

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

Compared structures

  • 5S7Y · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a · 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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