Research workbench
Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C
Analyse Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AQV
- Type
- protein
- Length
- 267 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-AMP-activated protein kinase catalytic subunit alpha-2
- EC
- 2.7.11.1
- UniProt
- P54646
- Ligands
- TAK
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5'-AMP-activated protein kinase catalytic subunit alpha-2 (EC 2.7.11.1) | protein | 267 | 39% helix, 19% strand | P54646 |
Ligands and binding sites
- TAK · 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.65 | 0.87 | 25 | TAK |
| 2 | 333 | 0.61 | 0.78 | 36 | empty |
Compared structures
- 3AQV · Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P54646 · AlphaFold monomer V2.0 prediction for 5'-AMP-activated protein kinase catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.88
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 P54646
- Elsewhere: RCSB PDB 3AQV · PDBe 3AQV · UniProt P54646
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