Research workbench
Focal adhesion kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor
Analyse Focal adhesion kinase catalytic domain in complex with a diarylamino… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C7T
- Type
- protein
- Length
- 259 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
- Q00944
- Ligands
- 5RI, SO4
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 259 | 42% helix, 17% strand | Q00944 |
Ligands and binding sites
- 5RI · N-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.58 | 0.80 | 28 | 5RI |
| 2 | 78 | 0.34 | 0.75 | 16 | empty |
Compared structures
- 4C7T · Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine… · 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 0.96
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 4C7T · PDBe 4C7T · UniProt Q00944
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