MolNFT v1 · #22041 · protein
Camp-dependent protein kinase, alpha-catalytic subunit in complex with staurosporine
1STC: “Camp-dependent protein kinase, alpha-catalytic subunit in complex with staurosporine”. X-ray diffraction, 1 ligand (STU), 4 pockets (best druggability 0.78). MolNFT v1 #22041 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1STC
- Type
- protein
- Length
- 353 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase; Protein kinase inhibitor
- EC
- 2.7.1.37
- UniProt
- P00517, P04541
- Ligands
- STU
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Camp-dependent protein kinase (EC 2.7.1.37) | protein | 336 | 38% helix, 15% strand | P00517 |
| I | Protein kinase inhibitor | protein | 17 | 47% helix, 0% strand | P04541 |
Ligands and binding sites
- STU · Staurosporine · ligand · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 750 | 0.78 | 0.82 | 73 | STU |
| 2 | 140 | 0.44 | 0.76 | 24 | empty |
| 3 | 65 | 0.29 | 0.74 | 13 | empty |
| 4 | 56 | 0.27 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- E–I · 739 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1STC · Camp-dependent protein kinase, alpha-catalytic subunit in complex with staurosporine · the same entry in another collection · chain E against E, TM-score 1.00
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 P04541
- Elsewhere: RCSB PDB 1STC · PDBe 1STC · UniProt P00517 · UniProt P04541
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