MolNFT v1 · #97312 · protein
Focal adhesion kinase catalytic domain in complex with 1-[4-(6-amino- purin-9-yl)-phenyl]-3-(5-tert-butyl-2-P-tolyl-2H-pyrazol-3-yl)-urea
4K9Y · Focal adhesion kinase 1: “Focal adhesion kinase catalytic domain in complex with 1-[4-(6-amino…”. X-ray diffraction, 1 ligand (K9Y), 1 pocket (best druggability 0.74). MolNFT v1 #97312 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4K9Y
- Type
- protein
- Length
- 271 residues
- Chains
- 1
- 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
- K9Y
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 271 | 43% helix, 16% strand | Q05397 |
Ligands and binding sites
- K9Y · 1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 713 | 0.74 | 0.80 | 71 | K9Y |
Modifications
Observed in the structure: 1 disulfide (disulfide).
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 Q05397
- Elsewhere: RCSB PDB 4K9Y · PDBe 4K9Y · UniProt Q05397
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