MolNFT v1 · #128898 · protein
Human FGF in complex with a covalent inhibitor
5O4A · Fibroblast growth factor receptor 1: “Human FGF in complex with a covalent inhibitor”. X-ray diffraction, 2 ligands (9K8, SO4), 4 pockets (best druggability 0.76). MolNFT v1 #128898 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5O4A
- Type
- protein
- Length
- 581 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
- 9K8, SO4
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 290 | 38% helix, 16% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 291 | 37% helix, 16% strand | P11362 |
Ligands and binding sites
- 9K8 · [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · chains A
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 | 1057 | 0.76 | 0.78 | 103 | GOL |
| 2 | 787 | 0.71 | 0.77 | 71 | SO4, 9K8 |
| 3 | 372 | 0.63 | 0.78 | 39 | 9K8 |
| 4 | 71 | 0.33 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 522 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
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 5O4A · PDBe 5O4A · UniProt P11362
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