MolNFT v1 · #173891 · protein
Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159
7BE6 · Epithelial discoidin domain-containing receptor 1: “Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159”. X-ray diffraction, 3 ligands (TJW, PO4, SO4), 3 pockets (best druggability 0.71). MolNFT v1 #173891 on…
- PDB
- 7BE6
- Type
- protein
- Length
- 302 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
- TJW, PO4, SO4
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epithelial discoidin domain-containing receptor 1 (EC 2.7.10.1) | protein | 302 | 40% helix, 17% strand | Q08345 |
Ligands and binding sites
- TJW · 5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 716 | 0.71 | 0.77 | 56 | EDO, TJW |
| 2 | 225 | 0.54 | 0.77 | 26 | empty |
| 3 | 89 | 0.42 | 0.78 | 16 | empty |
Compared structures
- 7BE6 · Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159 · 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 0.95
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 7BE6 · PDBe 7BE6 · UniProt Q08345
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