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Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline Inhibitor
Analyse Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FRG
- Type
- protein
- Length
- 335 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Homo sapiens
- Molecule
- cAMP-specific 3',5'-cyclic phosphodiesterase 4B
- EC
- 3.1.4.17
- UniProt
- Q07343
- Ligands
- SK4, ARS, ZN, MG
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · resolution 1.7 · 1 distinct chain · 67% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | cAMP-specific 3',5'-cyclic phosphodiesterase 4B (EC 3.1.4.17) | protein | 335 | 67% helix, 1% strand | Q07343 |
Ligands and binding sites
- SK4 · 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide · ligand · chains A
- ARS · Arsenic · metal · 3 copies · chains A
- ZN · Zinc ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 508 | 0.71 | 0.81 | 49 | SK4, MG, ARS |
| 2 | 55 | 0.37 | 0.79 | 17 | ARS |
| 3 | 60 | 0.33 | 0.77 | 18 | empty |
Compared structures
- 3FRG · Catalytic domain of human phosphodiesterase 4B2B in complex with a quinoline inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q07343 · AlphaFold monomer V2.0 prediction for camp-specific 3',5'-cyclic phosphodiesterase 4B… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q07343
- Elsewhere: RCSB PDB 3FRG · PDBe 3FRG · UniProt Q07343
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