MolNFT v1 · #147924 · protein
Crystal structure of the protein-kinase a catalytic subunit from criteculus griseus in complex with compounds RKP182 and fasudil
6ERS · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the protein-kinase a catalytic subunit from criteculus griseus in complex with compounds…”. X-ray diffraction, 2 ligands (M77, RIP), 3 pockets (best…
- PDB
- 6ERS
- Type
- protein
- Length
- 356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha; UPF0418 protein FAM164A
- EC
- 2.7.11.11
- UniProt
- P25321, G3HK48
- Ligands
- M77, RIP
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 338 | 39% helix, 15% strand | P25321 |
| B | UPF0418 protein FAM164A | protein | 18 | 39% helix, 0% strand | G3HK48 |
Ligands and binding sites
- M77 · 5-(1,4-diazepan-1-sulfonyl)isoquinoline · ligand · chains A
- RIP · beta-D-ribopyranose · ligand · chains B
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 | 580 | 0.75 | 0.82 | 43 | M77 |
| 2 | 109 | 0.45 | 0.78 | 15 | empty |
| 3 | 53 | 0.28 | 0.74 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 852 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified, 1 covalent (phosphorylation, covalent ligand).
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 P25321
- Every structure of UniProt G3HK48
- Elsewhere: RCSB PDB 6ERS · PDBe 6ERS · UniProt P25321 · UniProt G3HK48
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