MolNFT v1 · #113543 · protein
Human PARP9 2ND macrodomain
5AIL · Poly [ADP-ribose] polymerase 9: “Human PARP9 2ND macrodomain”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.56). MolNFT v1 #113543 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AIL
- Type
- protein
- Length
- 362 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poly [ADP-ribose] polymerase 9
- UniProt
- Q8IXQ6
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Poly [ADP-ribose] polymerase 9 | protein | 180 | 44% helix, 24% strand | Q8IXQ6 |
| B | Poly [ADP-ribose] polymerase 9 | protein | 182 | 44% helix, 24% strand | Q8IXQ6 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- 15P · Polyethylene glycol (N=34) · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.56 | 0.79 | 27 | empty |
| 2 | 209 | 0.56 | 0.79 | 28 | EDO |
Compared structures
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 Q8IXQ6
- Elsewhere: RCSB PDB 5AIL · PDBe 5AIL · UniProt Q8IXQ6
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