MolNFT v1 · #88766 · protein
Focal adhesion kinase catalytic domain
4D4Y · Focal adhesion kinase 1: “Focal adhesion kinase catalytic domain”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.76). MolNFT v1 #88766 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4D4Y
- Type
- protein
- Length
- 515 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
- SO4
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 255 | 43% helix, 19% strand | Q00944 |
| B | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 260 | 45% helix, 18% strand | Q00944 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 993 | 0.76 | 0.78 | 80 | SO4 |
| 2 | 251 | 0.60 | 0.80 | 35 | empty |
| 3 | 120 | 0.44 | 0.77 | 18 | empty |
| 4 | 144 | 0.39 | 0.73 | 21 | empty |
| 5 | 69 | 0.30 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 632 Ų buried · 10 hydrogen bonds · protein-protein
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 Q00944
- Elsewhere: RCSB PDB 4D4Y · PDBe 4D4Y · UniProt Q00944
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