Research workbench
PKA-S6K1 chimera with staurosporine bound
Analyse PKA-S6K1 chimera with staurosporine bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C34
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha; Camp-dependent protein kinase…
- EC
- 2.7.11.11
- UniProt
- P00517, Q3SX13
- Ligands
- STU, MG8
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 340 | 38% helix, 15% strand | P00517 |
| I | Camp-dependent protein kinase inhibitor alpha | protein | 18 | 44% helix, 0% strand | Q3SX13 |
Ligands and binding sites
- STU · Staurosporine · ligand · chains A, I
- MG8 · N-octanoyl-N-methylglucamine · ligand · chains A
- GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 628 | 0.77 | 0.83 | 54 | STU |
| 2 | 106 | 0.50 | 0.81 | 14 | MG8 |
| 3 | 76 | 0.33 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–I · 845 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
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 P00517
- Every structure of UniProt Q3SX13
- Elsewhere: RCSB PDB 4C34 · PDBe 4C34 · UniProt P00517 · UniProt Q3SX13
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