Research workbench
Crystal structure of the catalytic domain of FGFR2 kinase in complex with arq 069
Analyse Crystal structure of the catalytic domain of FGFR2 kinase in complex with arq… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RI1
- Type
- protein
- Length
- 568 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fibroblast growth factor receptor 2
- EC
- 2.7.10.1
- UniProt
- P21802
- Ligands
- 3RH, SO4
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 2 (EC 2.7.10.1) | protein | 285 | 39% helix, 17% strand | P21802 |
| B | Fibroblast growth factor receptor 2 (EC 2.7.10.1) | protein | 283 | 39% helix, 17% strand | P21802 |
Ligands and binding sites
- 3RH · (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
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 | 1152 | 0.84 | 0.85 | 90 | 3RH, SO4 |
| 2 | 52 | 0.31 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1347 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 3RI1 · Crystal structure of the catalytic domain of FGFR2 kinase in complex with ARQ 069 · the same entry in another collection · chain A against A, TM-score 1.00
- P21802 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 2 (P21802) · 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 P21802
- Elsewhere: RCSB PDB 3RI1 · PDBe 3RI1 · UniProt P21802
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