MolNFT v1 · #32195 · protein
Structure of PDK1-S241A mutant kinase domain
2BIY · 3-phosphoinositide dependent protein kinase-1: “Structure of PDK1-S241A mutant kinase domain”. X-ray diffraction, 2 ligands (ATP, SO4), 3 pockets (best druggability 0.66). MolNFT v1 #32195 on GenesisL1: 3D structure, binding sites…
- PDB
- 2BIY
- Type
- protein
- Length
- 287 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-phosphoinositide dependent protein kinase-1
- EC
- 2.7.1.37
- UniProt
- O15530
- Ligands
- ATP, SO4
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-phosphoinositide dependent protein kinase-1 (EC 2.7.1.37) | protein | 287 | 40% helix, 19% strand | O15530 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- SO4 · Sulfate ion · ion · 7 copies · chains A
- GOL · Glycerol · additive · 7 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 433 | 0.66 | 0.78 | 35 | GOL, ATP |
| 2 | 53 | 0.33 | 0.77 | 16 | empty |
| 3 | 70 | 0.29 | 0.73 | 19 | GOL, SO4 |
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 O15530
- Elsewhere: RCSB PDB 2BIY · PDBe 2BIY · UniProt O15530
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