MolNFT v1 · #52911 · protein
Human pde-papaverine complex obtained by ligand soaking of cross- linked protein crystals
2WEY · Camp and camp-inhibited cgmp 3', 5'-cyclic phosphodiesterase: “Human pde-papaverine complex obtained by ligand soaking of cross- linked protein crystals”. X-ray diffraction, 3 ligands (EV1, ZN, MG), 9 pockets (best druggability…
- PDB
- 2WEY
- Type
- protein
- Length
- 648 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp and camp-inhibited cgmp 3', 5'-cyclic phosphodiesterase
- EC
- 3.1.4.17, 3.1.4.35
- UniProt
- Q9Y233
- Ligands
- EV1, ZN, MG
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Camp and camp-inhibited cgmp 3', 5'-cyclic phosphodiesterase (EC 3.1.4.17, 3.1.4.35) | protein | 324 | 72% helix, 0% strand | Q9Y233 |
Ligands and binding sites
- EV1 · 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · 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
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 450 | 0.74 | 0.83 | 47 | EV1, MG |
| 2 | 581 | 0.71 | 0.80 | 55 | EV1, MG |
| 3 | 651 | 0.70 | 0.78 | 54 | empty |
| 4 | 64 | 0.60 | 0.91 | 22 | empty |
| 5 | 97 | 0.41 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 820 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2WEY · Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals · 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 Q9Y233
- Elsewhere: RCSB PDB 2WEY · PDBe 2WEY · UniProt Q9Y233
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.