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MolNFT v1 · #165202 · protein

X-ray structure of MPS1 in complex with compound 46

6TNC: “X-ray structure of MPS1 in complex with compound 46”. X-ray diffraction, 2 ligands (O23, CL). MolNFT v1 #165202 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6TNC
Type
protein
Length
259 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P33981
Ligands
O23, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein259—P33981

Ligands and binding sites

  • O23 · N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl) amino]imidazo[1,2-a]pyrazin-3-yl}benzamide · ligand · chains A
  • CL · Chloride ion · ion · chains A

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

Compared structures

  • 6TNC · X-ray structure of MPS1 in complex with compound 46 · the same entry in another collection · chain A against A, TM-score 1.00

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