MolNFT v1 · #186096 · protein

X-ray structure of furin in complex with the dichlorophenylpyridine- based inhibitor 1

7QY0: “X-ray structure of furin in complex with the dichlorophenylpyridine- based inhibitor 1”. X-ray diffraction, 5 ligands (I0T, NAG, NA). MolNFT v1 #186096 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7QY0
Type: protein
Length: 472 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P09958
Ligands: I0T, NAG, NA, CA, CL

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	472	—	P09958

Ligands and binding sites

I0T · N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
NA · Sodium ion · metal · 4 copies · chains A
CA · Calcium ion · metal · 3 copies · chains A
CL · Chloride ion · ion · chains A
DMS · Dimethyl sulfoxide · additive · 6 copies · chains A

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

Compared structures

7QY0 · X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1 · 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 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P09958
Elsewhere: RCSB PDB 7QY0 · PDBe 7QY0 · UniProt P09958

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