MolNFT v1 · #54236 · protein
Crystal structure of the VEGFR2 kinase domain in complex with pf- 00337210 (N,2-dimethyl-6-(7-(2-MORPHOLINOETHOXY)QUINOLIN-4-yloxy) benzofuran-3-carboxamide)
2XIR · Vascular endothelial growth factor receptor 2: “Crystal structure of the VEGFR2 kinase domain in complex with pf- 00337210…”. X-ray diffraction, 1 ligand (00J), 1 pocket (best druggability 0.74). MolNFT v1 #54236 on GenesisL1: 3D…
- PDB
- 2XIR
- Type
- protein
- Length
- 296 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
- 00J
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Vascular endothelial growth factor receptor 2 (EC 2.7.10.1) | protein | 296 | 42% helix, 19% strand | P35968 |
Ligands and binding sites
- 00J · N,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 652 | 0.74 | 0.80 | 77 | 00J |
Compared structures
- 2XIR · Crystal structure of the VEGFR2 kinase domain in complex with PF- 00337210… · 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 2XIR · PDBe 2XIR · UniProt P35968
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