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MolNFT v1 · #183753 · protein

X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 4 (MI359)

7O22: “X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 4 (MI359)”. X-ray diffraction, 5 ligands (UYW, NAG, CA). MolNFT v1 #183753 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7O22
Type
protein
Length
464 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P09958
Ligands
UYW, NAG, CA, NA, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein464—P09958

Ligands and binding sites

  • UYW · [azanyl-[(2E)-2-[[2-[(4-chlorophenyl) methoxy]phenyl]methylidene]hydrazinyl]methylidene]azan ium · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • CA · Calcium ion · metal · 3 copies · chains A
  • NA · Sodium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · chains A
  • DMS · Dimethyl sulfoxide · additive · 4 copies · chains A

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

Compared structures

  • 7O22 · X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 4 (mi359) · the same entry in another collection · chain A against A, TM-score 1.00
  • P09958 · AlphaFold monomer V2.0 prediction for furin (P09958) · a predicted model of the same protein · chain A against A, TM-score 1.00

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