MolNFT v1 · #91200 · protein
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with compound 1
4F63: “Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with compound 1”. X-ray diffraction, 1 ligand (0S7), 5 pockets (best druggability 0.72). MolNFT v1 #91200 on GenesisL1: 3D structure, binding…
- PDB
- 4F63
- Type
- protein
- Length
- 549 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
- 0S7
- Pockets
- 5 · best druggability 0.72
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 | 271 | 40% helix, 16% strand | P11362 |
Ligands and binding sites
- 0S7 · 5-bromo-N~4~-(3-methyl-1H-pyrazol-5-yl)-N~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine · ligand · 2 copies · chains A, B
- 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
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 689 | 0.72 | 0.79 | 73 | empty |
| 2 | 345 | 0.63 | 0.78 | 35 | 0S7, EDO |
| 3 | 303 | 0.58 | 0.77 | 34 | 0S7, EDO |
| 4 | 202 | 0.51 | 0.77 | 29 | empty |
| 5 | 65 | 0.29 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 453 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4F63 · 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 4F63 · PDBe 4F63 · UniProt P11362
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