MolNFT v1 · #96830 · protein
Crystal structure of RIALPHA(91-379) bound to HE33, a N6 di-propyl substituted camp analog
4JV4 · Camp-dependent protein kinase type I-alpha regulatory…: “Crystal structure of RIALPHA(91-379) bound to HE33, a N6 di-propyl substituted camp analog”. X-ray diffraction, 1 ligand (1OR), 3 pockets (best druggability 0.75). MolNFT v1…
- PDB
- 4JV4
- Type
- protein
- Length
- 261 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase type I-alpha regulatory subunit
- UniProt
- P00514
- Ligands
- 1OR
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase type I-alpha regulatory subunit | protein | 261 | 34% helix, 33% strand | P00514 |
Ligands and binding sites
- 1OR · (2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide · ligand · 2 copies · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.75 | 0.96 | 20 | empty |
| 2 | 276 | 0.69 | 0.84 | 50 | 1OR |
| 3 | 189 | 0.56 | 0.80 | 24 | 1OR |
Compared structures
- 4JV4 · Crystal Structure of RIalpha(91-379) bound to HE33, a N6 di-propyl substituted cAMP analog · the same entry in another collection · chain A against A, TM-score 1.00
- P00514 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type I-alpha… · a predicted model of the same protein · chain A against A, TM-score 0.45
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 P00514
- Elsewhere: RCSB PDB 4JV4 · PDBe 4JV4 · UniProt P00514
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