MolNFT v1 · #65219 · protein
Crystal structure of activated receptor tyrosine kinase in complex with substrates
3GQL · Basic fibroblast growth factor receptor 1: “Crystal structure of activated receptor tyrosine kinase in complex with substrates”. X-ray diffraction, 1 ligand (GQL), 10 pockets (best druggability 0.83). MolNFT v1 #65219 on GenesisL1…
- PDB
- 3GQL
- Type
- protein
- Length
- 838 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Basic fibroblast growth factor receptor 1
- EC
- 2.7.10.1
- UniProt
- P11362
- Ligands
- GQL
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Basic fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 287 | 38% helix, 16% strand | P11362 |
| B | Basic fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 276 | 38% helix, 17% strand | P11362 |
| C | Basic fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 275 | 37% helix, 16% strand | P11362 |
Ligands and binding sites
- GQL · (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 957 | 0.83 | 0.84 | 118 | GQL |
| 2 | 246 | 0.66 | 0.83 | 28 | GQL |
| 3 | 313 | 0.64 | 0.80 | 38 | GQL |
| 4 | 360 | 0.60 | 0.77 | 32 | empty |
| 5 | 112 | 0.46 | 0.79 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1421 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 541 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 28 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3GQL · Crystal Structure of activated receptor tyrosine kinase in complex with substrates · the same entry in another collection · chain A against A, TM-score 1.00
- P11362 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 1 (P11362) · a predicted model of the same protein · chain B 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 P11362
- Elsewhere: RCSB PDB 3GQL · PDBe 3GQL · UniProt P11362
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