MolNFT v1 · #40701 · protein
Crystal structure of a fragment of focal adhesion kinase containing the ferm and kinase domains.
2J0K · Focal adhesion kinase 1: “Crystal structure of a fragment of focal adhesion kinase containing the ferm and kinase domains.”. X-ray diffraction, 1 ligand (4ST), 16 pockets (best druggability 0.73). MolNFT v1 #40701 on GenesisL1: 3D…
- PDB
- 2J0K
- Type
- protein
- Length
- 1,210 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Focal adhesion kinase 1
- EC
- 2.7.10.2
- UniProt
- Q00944
- Ligands
- 4ST
- Pockets
- 16 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 598 | 42% helix, 20% strand | Q00944 |
| B | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 612 | 40% helix, 20% strand | Q00944 |
Ligands and binding sites
- 4ST · 1,2,3,4-tetrahydrogen-staurosporine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 733 | 0.73 | 0.79 | 70 | empty |
| 2 | 484 | 0.67 | 0.78 | 51 | 4ST |
| 3 | 384 | 0.66 | 0.80 | 40 | 4ST |
| 4 | 326 | 0.62 | 0.79 | 36 | empty |
| 5 | 300 | 0.61 | 0.79 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 313 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2J0K · Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q00944 · AlphaFold monomer V2.0 prediction for focal adhesion kinase 1 (Q00944) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q00944
- Elsewhere: RCSB PDB 2J0K · PDBe 2J0K · UniProt Q00944
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