MolNFT v1 · #181817 · protein
ATP-bound AMP-activated protein kinase
7M74 · 5'-AMP-activated protein kinase catalytic subunit alpha-1: “ATP-bound AMP-activated protein kinase”. Electron microscopy, 5 ligands (TAK, ATP, ADP), 20 pockets (best druggability 0.83). MolNFT v1 #181817 on GenesisL1: 3D structure…
- PDB
- 7M74
- Type
- protein
- Length
- 1,699 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-AMP-activated protein kinase catalytic subunit alpha-1; 5'-AMP-activated protein…
- EC
- 2.7.11.1, 2.7.11.27, 2.7.11.31, 2.7.11.26
- UniProt
- O43741, P54619, A0A6D0N546
- Ligands
- TAK, ATP, ADP, AMP, GLC
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 7 distinct chains · 24% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5'-AMP-activated protein kinase catalytic subunit alpha-1 (EC 2.7.11.1, 2.7.11.27, 2.7.11.31, 2.7.11.26) | protein | 380 | 34% helix, 20% strand | — |
| B | 5'-AMP-activated protein kinase subunit beta-2 | protein | 93 | 9% helix, 20% strand | O43741 |
| G | 5'-AMP-activated protein kinase subunit gamma-1 | protein | 300 | 37% helix, 15% strand | P54619 |
| M | MALTOSE/MALTODEXTRIN ABC transporter substrate-binding protein male | protein | 367 | 43% helix, 19% strand | A0A6D0N546 |
| L | Fab light chain | protein | 211 | 1% helix, 43% strand | — |
| H | Fab heavy chain | protein | 228 | 2% helix, 44% strand | — |
| N | Nanobody | protein | 120 | 3% helix, 45% strand | — |
Ligands and binding sites
- TAK · 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine · ligand · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains G
- ADP · Adenosine-5'-diphosphate · ligand · chains G
- AMP · Adenosine monophosphate · ligand · chains G
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains M
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1137 | 0.83 | 0.84 | 77 | ATP, ADP |
| 2 | 395 | 0.76 | 0.86 | 28 | GLC |
| 3 | 54 | 0.68 | 0.96 | 18 | empty |
| 4 | 343 | 0.67 | 0.81 | 36 | empty |
| 5 | 248 | 0.67 | 0.84 | 33 | TAK |
Interfaces
9 interfaces between chains.
- A–B · 2301 Ų buried · 16 hydrogen bonds · protein-protein
- L–H · 2014 Ų buried · 9 hydrogen bonds · protein-protein
- A–H · 1341 Ų buried · 7 hydrogen bonds · protein-protein
- A–G · 1214 Ų buried · 8 hydrogen bonds · protein-protein
- B–G · 1115 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 7M74 · ATP-bound AMP-activated protein kinase · the same entry in another collection · chain N against N, TM-score 1.00
- P54619 · AlphaFold monomer V2.0 prediction for 5'-AMP-activated protein kinase subunit gamma-1… · a predicted model of the same protein · chain G against A, TM-score 0.96
- O43741 · AlphaFold monomer V2.0 prediction for 5'-AMP-activated protein kinase subunit beta-2… · a predicted model of the same protein · chain B against A, TM-score 0.79
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 O43741
- Every structure of UniProt P54619
- Every structure of UniProt A0A6D0N546
- Elsewhere: RCSB PDB 7M74 · PDBe 7M74 · UniProt O43741 · UniProt P54619 · UniProt A0A6D0N546
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