MolNFT v1 · #73623 · protein
Crystal structure of phospholamban (1-19):PKA C-SUBUNIT:AMP-PNP:MG2+ complex
3O7L · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of phospholamban (1-19):PKA C-SUBUNIT:AMP-PNP:MG2+ complex”. X-ray diffraction, 2 ligands (ANP, MG), 8 pockets (best druggability 0.78). MolNFT v1 #73623 on…
- PDB
- 3O7L
- Type
- protein
- Length
- 677 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha; Cardiac phospholamban
- EC
- 2.7.11.11
- UniProt
- P05132, P61014
- Ligands
- ANP, MG
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 327 | 38% helix, 14% strand | P05132 |
| D | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 335 | 37% helix, 16% strand | P05132 |
| I | Cardiac phospholamban | protein | 15 | 0% helix, 0% strand | P61014 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains B, I
- MG · Magnesium ion · metal · 2 copies · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1156 | 0.78 | 0.80 | 81 | empty |
| 2 | 461 | 0.74 | 0.83 | 53 | MG, PEG, ANP |
| 3 | 69 | 0.47 | 0.83 | 17 | empty |
| 4 | 147 | 0.42 | 0.75 | 31 | empty |
| 5 | 96 | 0.40 | 0.76 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–D · 733 Ų buried · 11 hydrogen bonds · protein-protein
- B–I · 680 Ų buried · 18 hydrogen bonds · protein-protein
- D–I · 292 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 3O7L · Crystal Structure of phospholamban (1-19):PKA C-subunit:AMP-PNP:Mg2+ complex · the same entry in another collection · chain B against B, TM-score 1.00
- P61014 · AlphaFold monomer V2.0 prediction for cardiac phospholamban (P61014) · a predicted model of the same protein · chain I against A, TM-score 0.18
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
- Every structure of UniProt P61014
- Elsewhere: RCSB PDB 3O7L · PDBe 3O7L · UniProt P05132 · UniProt P61014
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