Research workbench
Multiple determinants for inhibitor selectivity of cyclic nucleotide phosphodiesterases
Analyse Multiple determinants for inhibitor selectivity of cyclic nucleotide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZKL
- Type
- protein
- Length
- 317 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- High-affinity camp-specific 3',5'-cyclic phosphodiesterase 7A
- EC
- 3.1.4.17
- UniProt
- Q13946
- Ligands
- IBM, ZN, MG
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | High-affinity camp-specific 3',5'-cyclic phosphodiesterase 7A (EC 3.1.4.17) | protein | 317 | 70% helix, 0% strand | Q13946 |
Ligands and binding sites
- IBM · 3-isobutyl-1-methylxanthine · ligand · chains A
- ZN · Zinc ion · metal · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 398 | 0.73 | 0.84 | 38 | MG, IBM |
Compared structures
- 1ZKL · Multiple Determinants for Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases · the same entry in another collection · chain A against A, TM-score 1.00
- Q13946 · AlphaFold monomer V2.0 prediction for high affinity camp-specific 3',5'-cyclic… · a predicted model of the same protein · 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 Q13946
- Elsewhere: RCSB PDB 1ZKL · PDBe 1ZKL · UniProt Q13946
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