MolNFT v1 · #40219 · protein
Crystal structure of focal adhesion kinase domain with 2 molecules in the asymmetric unit complexed with ADP and ATP
2IJM · Focal adhesion kinase 1: “Crystal structure of focal adhesion kinase domain with 2 molecules in the asymmetric unit complexed with ADP…”. X-ray diffraction, 2 ligands (ATP, ADP), 2 pockets (best druggability 0.67). MolNFT v1 #40219…
- PDB
- 2IJM
- Type
- protein
- Length
- 521 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
- Q05397
- Ligands
- ATP, ADP
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 260 | 42% helix, 18% strand | Q05397 |
| B | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 261 | 43% helix, 17% strand | Q05397 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.67 | 0.81 | 36 | ATP |
| 2 | 285 | 0.64 | 0.81 | 31 | ADP |
Interfaces
1 interface between chains.
- A–B · 164 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2IJM · Crystal Structure of Focal Adhesion Kinase Domain with 2 molecules in the Asymmetric Unit… · the same entry in another collection · chain A against A, TM-score 1.00
- Q05397 · AlphaFold monomer V2.0 prediction for focal adhesion kinase 1 (Q05397) · a predicted model of the same protein · chain B 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 Q05397
- Elsewhere: RCSB PDB 2IJM · PDBe 2IJM · UniProt Q05397
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