MolNFT v1 · #88759 · protein
Focal adhesion kinase catalytic domain
4D4R · Focal adhesion kinase 1: “Focal adhesion kinase catalytic domain”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.69). MolNFT v1 #88759 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4D4R
- 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
- Q00944
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 251 | 44% helix, 19% strand | Q00944 |
| B | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 270 | 44% helix, 17% strand | Q00944 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 490 | 0.69 | 0.80 | 52 | empty |
| 2 | 243 | 0.55 | 0.77 | 38 | empty |
| 3 | 178 | 0.52 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 536 Ų buried · 6 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 4D4R · PDBe 4D4R · UniProt Q00944
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