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MolNFT v1 · #133797 · protein

DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-PYRROLO[2,3- B]PYRIDIN-5-YLOXYMETHYL)BENZAMIDE, 1.600A, P212121, RFREE=23.2%

5SB2: “DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-PYRROLO[2,3- B]PYRIDIN-5-YLOXYMETHYL)BENZAMIDE, 1.600A…”. X-ray diffraction, 2 ligands (1K2, IOD). MolNFT v1 #133797 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5SB2
Type
protein
Length
286 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q08345
Ligands
1K2, IOD

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein286—Q08345

Ligands and binding sites

  • 1K2 · 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide · ligand · chains A
  • IOD · Iodide ion · ion · 5 copies · chains A

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

Compared structures

  • 5SB2 · DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)b… · 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 0.96

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