MolNFT v1 · #149865 · protein
Focal adhesion kinase catalytic domain in complex with irreversible inhibitor
6GCR · Focal adhesion kinase 1: “Focal adhesion kinase catalytic domain in complex with irreversible inhibitor”. X-ray diffraction, 1 ligand (EUW), 1 pocket (best druggability 0.62). MolNFT v1 #149865 on GenesisL1: 3D structure, binding…
- PDB
- 6GCR
- Type
- protein
- Length
- 258 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
- EUW
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Focal adhesion kinase 1 (EC 2.7.10.2) | protein | 258 | 44% helix, 21% strand | Q00944 |
Ligands and binding sites
- EUW · 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide · 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 | 176 | 0.62 | 0.83 | 25 | EUW |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6GCR · Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor · 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 0.97
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 6GCR · PDBe 6GCR · UniProt Q00944
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