MolNFT v1 · #101208 · protein
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 2
4NKA: “Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with…”. X-ray diffraction, 2 ligands (2K7, SO4), 5 pockets (best druggability 0.69). MolNFT v1 #101208 on GenesisL1: 3D structure, binding sites…
- PDB
- 4NKA
- Type
- protein
- Length
- 566 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
- 2K7, SO4
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 279 | 40% helix, 15% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 287 | 39% helix, 16% strand | P11362 |
Ligands and binding sites
- 2K7 · N~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-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 · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 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 | 336 | 0.69 | 0.83 | 39 | empty |
| 2 | 458 | 0.66 | 0.78 | 49 | SO4, 2K7 |
| 3 | 352 | 0.64 | 0.79 | 38 | 2K7 |
| 4 | 355 | 0.57 | 0.75 | 43 | empty |
| 5 | 103 | 0.38 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 472 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4NKA · 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 A against A, TM-score 0.93
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 4NKA · PDBe 4NKA · UniProt P11362
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