GL1X · GenesisL1 explorer

Research workbench

DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-YL)METHYL]-8-(1H-indazole-5- carbonyl)-1-phenyl-1,3,8-TRIAZASPIRO[4.5]DECAN-4-one, 1.670A, P1211, RFREE=22.8%

Analyse DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-YL)METHYL]-8-(1H-indazole-5… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FIN
Type
protein
Length
294 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Epithelial discoidin domain-containing receptor 1
EC
2.7.10.1
UniProt
Q08345
Ligands
DJQ, IOD
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEpithelial discoidin domain-containing receptor 1 (EC 2.7.10.1)protein29442% helix, 16% strandQ08345

Ligands and binding sites

  • DJQ · 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one · ligand · chains A
  • IOD · Iodide ion · ion · 8 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16890.740.7959IOD, DJQ
21760.450.7523empty

Compared structures

  • 6FIN · DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q08345 · AlphaFold monomer V2.0 prediction for epithelial discoidin domain- containing receptor 1… · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.