MolNFT v1 · #47091 · protein
Synthesis, structural analysis, and sar studies of triazine derivatives as potent, selective tie-2 inhibitors
2OO8 · Angiopoietin-1 receptor: “Synthesis, structural analysis, and sar studies of triazine derivatives as potent, selective tie-2 inhibitors”. X-ray diffraction, 1 ligand (RAJ), 2 pockets (best druggability 0.59). MolNFT v1 #47091 on…
- PDB
- 2OO8
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiopoietin-1 receptor
- EC
- 2.7.10.1
- UniProt
- Q02763
- Ligands
- RAJ
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Angiopoietin-1 receptor (EC 2.7.10.1) | protein | 259 | 45% helix, 13% strand | Q02763 |
Ligands and binding sites
- RAJ · N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide · ligand · chains X
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 | 268 | 0.59 | 0.78 | 42 | RAJ |
| 2 | 99 | 0.42 | 0.77 | 24 | empty |
Compared structures
- 2OO8 · Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent… · the same entry in another collection · chain X against X, TM-score 1.00
- Q02763 · AlphaFold monomer V2.0 prediction for angiopoietin-1 receptor (Q02763) · a predicted model of the same protein · chain X against A, TM-score 0.96
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 Q02763
- Elsewhere: RCSB PDB 2OO8 · PDBe 2OO8 · UniProt Q02763
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