MolNFT v1 · #105748 · protein
Crystal structure of human ampk ALPHA1 kd-aid with K43A mutation
4RED · 5'-AMP-activated protein kinase catalytic subunit alpha-1: “Crystal structure of human ampk ALPHA1 kd-aid with K43A mutation”. X-ray diffraction, 9 pockets (best druggability 0.71). MolNFT v1 #105748 on GenesisL1: 3D structure…
- PDB
- 4RED
- Type
- protein
- Length
- 659 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 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
- UniProt
- Q13131
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 15% 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 | 327 | 37% helix, 15% strand | Q13131 |
| B | 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 | 332 | 41% helix, 15% strand | Q13131 |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.71 | 0.75 | 91 | empty |
| 2 | 352 | 0.69 | 0.82 | 48 | empty |
| 3 | 207 | 0.60 | 0.81 | 31 | empty |
| 4 | 71 | 0.41 | 0.80 | 14 | empty |
| 5 | 104 | 0.40 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2321 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4RED · Crystal structure of human AMPK alpha1 KD-AID with K43A mutation · the same entry in another collection · chain A against A, TM-score 1.00
- Q13131 · AlphaFold monomer V2.0 prediction for 5'-AMP-activated protein kinase catalytic subunit… · a predicted model of the same protein · chain B against A, TM-score 0.73
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 Q13131
- Elsewhere: RCSB PDB 4RED · PDBe 4RED · UniProt Q13131
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