MolNFT v1 · #28179 · protein
Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor
1Y6A · Vascular endothelial growth factor receptor 2: “Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor”. X-ray diffraction, 1 ligand (AAZ), 2 pockets (best druggability 0.54). MolNFT v1 #28179 on GenesisL1…
- PDB
- 1Y6A
- Type
- protein
- Length
- 261 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vascular endothelial growth factor receptor 2
- EC
- 2.7.1.112
- UniProt
- P35968
- Ligands
- AAZ
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Vascular endothelial growth factor receptor 2 (EC 2.7.1.112) | protein | 261 | 45% helix, 17% strand | P35968 |
Ligands and binding sites
- AAZ · N-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1,3-oxazol-2-amine · ligand · 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 | 199 | 0.54 | 0.78 | 31 | AAZ |
| 2 | 64 | 0.29 | 0.73 | 14 | empty |
Compared structures
- 1Y6A · Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor · 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 0.97
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 1Y6A · PDBe 1Y6A · UniProt P35968
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