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MolNFT v1 · #148742 · protein

Crystal structure of human KEAP1 btb domain in complex with isoxazoline-based inhibitor

6FFM · Kelch-like ech-associated protein 1: “Crystal structure of human KEAP1 btb domain in complex with isoxazoline-based inhibitor”. X-ray diffraction, 1 ligand (D8N). MolNFT v1 #148742 on GenesisL1: 3D structure, binding sites and…

PDB
6FFM
Type
protein
Length
131 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kelch-like ech-associated protein 1
UniProt
Q14145
Ligands
D8N

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKelch-like ech-associated protein 1protein13152% helix, 16% strandQ14145

Ligands and binding sites

  • D8N · ~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide · ligand · chains A

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 6FFM · Crystal Structure of Human KEAP1 BTB Domain in Complex with isoxazoline-based inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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