MolNFT v1 · #60156 · protein
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
3CJF · Vascular endothelial growth factor receptor 2: “Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine”. X-ray diffraction, 2 ligands (SAV, SO4), 3 pockets (best druggability 0.61). MolNFT v1…
- PDB
- 3CJF
- Type
- protein
- Length
- 281 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vascular endothelial growth factor receptor 2
- EC
- 2.7.10.1
- UniProt
- P35968
- Ligands
- SAV, SO4
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Vascular endothelial growth factor receptor 2 (EC 2.7.10.1) | protein | 281 | 41% helix, 19% strand | P35968 |
Ligands and binding sites
- SAV · N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine · ligand · chains A
- SO4 · Sulfate ion · ion · 4 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 293 | 0.61 | 0.79 | 27 | SAV |
| 2 | 51 | 0.34 | 0.78 | 13 | empty |
| 3 | 64 | 0.28 | 0.72 | 15 | empty |
Modifications
Observed in the structure: 5 modified (oxidation).
Compared structures
- 3CJF · Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing… · the same entry in another collection · chain A against A, TM-score 1.00
- P35968 · AlphaFold monomer V2.0 prediction for vascular endothelial growth factor receptor 2… · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P35968
- Elsewhere: RCSB PDB 3CJF · PDBe 3CJF · UniProt P35968
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.