Research workbench
Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M) in complex with N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H- pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-YL]BENZAMIDE (AZD4547)
Analyse Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RWK
- Type
- protein
- Length
- 590 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
- 66T, MG
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 308 | 36% helix, 14% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 282 | 39% helix, 14% strand | P11362 |
Ligands and binding sites
- 66T · N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 779 | 0.75 | 0.79 | 58 | 66T, MG |
| 2 | 241 | 0.68 | 0.84 | 31 | 66T |
| 3 | 523 | 0.67 | 0.78 | 56 | empty |
| 4 | 88 | 0.39 | 0.77 | 16 | empty |
| 5 | 97 | 0.35 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 362 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4RWK · Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M) 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 0.92
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 4RWK · PDBe 4RWK · UniProt P11362
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