Research workbench
PARP15 catalytic domain in complex with OUL256
Analyse PARP15 catalytic domain in complex with OUL256 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7PWU
- Type
- protein
- Length
- 392 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein mono-ADP-ribosyltransferase PARP15
- EC
- 2.4.2.-
- UniProt
- Q460N3
- Ligands
- 89H
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein mono-ADP-ribosyltransferase PARP15 (EC 2.4.2.-) | protein | 194 | 24% helix, 30% strand | Q460N3 |
| B | Protein mono-ADP-ribosyltransferase PARP15 (EC 2.4.2.-) | protein | 198 | 24% helix, 29% strand | Q460N3 |
Ligands and binding sites
- 89H · 6-(cyclopropylmethoxy)phthalazine-1,4-dione · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 264 | 0.79 | 0.91 | 46 | empty |
| 2 | 287 | 0.78 | 0.90 | 32 | empty |
| 3 | 317 | 0.62 | 0.79 | 38 | 89H |
| 4 | 247 | 0.62 | 0.81 | 39 | empty |
| 5 | 78 | 0.34 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1089 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 7PWU · PARP15 catalytic domain in complex with OUL256 · 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 Q460N3
- Elsewhere: RCSB PDB 7PWU · PDBe 7PWU · UniProt Q460N3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.