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MolNFT v1 · #142784 · protein

Dj-1 with compound 9

6AFG · PROTEIN/NUCLEIC acid deglycase dj-1: “Dj-1 with compound 9”. X-ray diffraction, 1 ligand (72V). MolNFT v1 #142784 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6AFG
Type
protein
Length
187 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PROTEIN/NUCLEIC acid deglycase dj-1
EC
3.1.2.-, 3.5.1.-, 3.5.1.124
UniProt
Q99497
Ligands
72V

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APROTEIN/NUCLEIC acid deglycase dj-1 (EC 3.1.2.-, 3.5.1.-, 3.5.1.124)protein18742% helix, 21% strandQ99497

Ligands and binding sites

  • 72V · 1-methylindole-2,3-dione · ligand · 2 copies · chains A

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

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 6AFG · DJ-1 with compound 9 · the same entry in another collection · chain A against A, TM-score 1.00

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