MolNFT v1 · #91201 · protein
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with compound 6
4F64: “Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with compound 6”. X-ray diffraction, 2 ligands (0S8, SO4), 4 pockets (best druggability 0.73). MolNFT v1 #91201 on GenesisL1: 3D structure…
- PDB
- 4F64
- Type
- protein
- Length
- 550 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fibroblast growth factor receptor 1
- EC
- 2.7.10.1
- UniProt
- P11362
- Ligands
- 0S8, SO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 278 | 41% helix, 14% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 272 | 40% helix, 17% strand | P11362 |
Ligands and binding sites
- 0S8 · 5-bromo-N~4~-[3-(3-methoxypropyl)-1H-pyrazol-5-yl]-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 702 | 0.73 | 0.79 | 74 | empty |
| 2 | 445 | 0.65 | 0.78 | 47 | 0S8, EDO |
| 3 | 339 | 0.64 | 0.79 | 40 | 0S8, EDO |
| 4 | 66 | 0.30 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 466 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4F64 · Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex… · 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 0.95
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 4F64 · PDBe 4F64 · UniProt P11362
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