MolNFT v1 · #140437 · protein
Fragment-based drug discovery of inhibitors to block pdedelta-RAS protein-protein interaction
5YAV · Retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic…: “Fragment-based drug discovery of inhibitors to block pdedelta-RAS protein-protein interaction”. X-ray diffraction, 1 ligand (8SF), 1 pocket (best druggability 0.83). MolNFT v1…
- PDB
- 5YAV
- Type
- protein
- Length
- 146 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic phosphodiesterase subunit delta
- UniProt
- O43924
- Ligands
- 8SF
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic phosphodiesterase subunit delta | protein | 146 | 14% helix, 60% strand | O43924 |
Ligands and binding sites
- 8SF · 1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole · ligand · chains B
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 | 380 | 0.83 | 0.91 | 41 | 8SF |
Compared structures
- 5YAV · Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein… · the same entry in another collection · chain B against B, TM-score 1.00
- O43924 · AlphaFold monomer V2.0 prediction for retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic… · a predicted model of the same protein · chain B 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 O43924
- Elsewhere: RCSB PDB 5YAV · PDBe 5YAV · UniProt O43924
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