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MolNFT v1 · #170622 · protein

X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-arg-tle-canavanine-amba

6YD7: “X-ray structure of furin in complex with the canavanine-based inhibitor…”. X-ray diffraction, 6 ligands (2UE, 00S, CA). MolNFT v1 #170622 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6YD7
Type
protein
Length
476 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P09958
Ligands
2UE, 00S, CA, NA, PO4, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein476—P09958

Ligands and binding sites

  • 2UE · 1-[4-(2-oxoethyl)benzyl]guanidine · ligand · chains A
  • 00S · 4-(aminomethyl)benzenecarboximidamide · ligand · chains A
  • CA · Calcium ion · metal · 3 copies · chains A
  • NA · Sodium ion · metal · 3 copies · chains A
  • PO4 · Phosphate ion · ion · 2 copies · chains A
  • CL · Chloride ion · ion · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A

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

Compared structures

  • 6YD7 · X-ray structure of furin in complex with the canavanine-based inhibitor… · the same entry in another collection · chain A against A, TM-score 0.99
  • P09958 · AlphaFold monomer V2.0 prediction for furin (P09958) · a predicted model of the same protein · chain A against A, TM-score 0.98

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