MolNFT v1 · #176894 · protein
Crystal structure of pkac-pln R9C complex
7E11 · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of pkac-pln R9C complex”. X-ray diffraction, 2 ligands (ANP, MG), 5 pockets (best druggability 0.81). MolNFT v1 #176894 on GenesisL1: 3D structure, binding…
- PDB
- 7E11
- Type
- protein
- Length
- 349 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha; Pln
- EC
- 2.7.11.11
- UniProt
- P05132
- Ligands
- ANP, MG
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 34% 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 | 337 | 35% helix, 15% strand | P05132 |
| B | Pln | protein | 12 | 0% helix, 8% strand | — |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.81 | 0.90 | 39 | ANP, MG |
| 2 | 72 | 0.41 | 0.79 | 13 | empty |
| 3 | 90 | 0.37 | 0.76 | 21 | empty |
| 4 | 80 | 0.36 | 0.76 | 15 | empty |
| 5 | 50 | 0.29 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 691 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 7E11 · Crystal structure of PKAc-PLN R9C complex · the same entry in another collection · chain A against A, 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 P05132
- Elsewhere: RCSB PDB 7E11 · PDBe 7E11 · UniProt P05132
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