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MolNFT v1 · #164158 · protein

KEAP1 in complex with compound 6

6SP1: “KEAP1 in complex with compound 6”. X-ray diffraction, 1 ligand (LQ8). MolNFT v1 #164158 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6SP1
Type
protein
Length
570 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q14145
Ligands
LQ8

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein285—Q14145

Ligands and binding sites

  • LQ8 · (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene) isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid · ligand · chains A, B
  • ACT · Acetate ion · additive · 15 copies · chains A, B

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

Compared structures

  • 6SP1 · KEAP1 in complex with compound 6 · the same entry in another collection · chain A against A, TM-score 1.00

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