MolNFT v1 · #148844 · protein
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%
6FIN · Epithelial discoidin domain-containing receptor 1: “DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-YL)METHYL]-8-(1H-indazole-5…”. X-ray diffraction, 2 ligands (DJQ, IOD), 2 pockets (best druggability 0.74). MolNFT v1 #148844 on…
- 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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epithelial discoidin domain-containing receptor 1 (EC 2.7.10.1) | protein | 294 | 42% helix, 16% strand | Q08345 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 689 | 0.74 | 0.79 | 59 | IOD, DJQ |
| 2 | 176 | 0.45 | 0.75 | 23 | empty |
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
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q08345
- Elsewhere: RCSB PDB 6FIN · PDBe 6FIN · UniProt Q08345
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