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Crystal structure of minimal kinase domain of fibroblast growth factor receptor 1 in complex with 5-(2-THIENYL)NICOTINIC acid
Analyse Crystal structure of minimal kinase domain of fibroblast growth factor receptor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3JS2
- Type
- protein
- Length
- 586 residues
- Chains
- 2
- 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
- VM1, PO4
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Basic fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 295 | 37% helix, 13% strand | P11362 |
| B | Basic fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 291 | 39% helix, 16% strand | P11362 |
Ligands and binding sites
- VM1 · 5-(2-thienyl)nicotinic acid · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 890 | 0.77 | 0.80 | 61 | VM1, PO4 |
| 2 | 752 | 0.75 | 0.80 | 64 | VM1, PO4 |
| 3 | 590 | 0.65 | 0.76 | 62 | empty |
| 4 | 59 | 0.32 | 0.76 | 19 | empty |
| 5 | 58 | 0.26 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 439 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3JS2 · Crystal structure of minimal kinase domain of fibroblast growth factor receptor 1 in… · 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 A against A, TM-score 0.92
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 3JS2 · PDBe 3JS2 · UniProt P11362
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