MolNFT v1 · #64830 · protein
Crystal structure of human POLY(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor PJ34
3GEY · Poly [ADP-ribose] polymerase 15: “Crystal structure of human POLY(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor…”. X-ray diffraction, 1 ligand (P34), 10 pockets (best druggability 0.79). MolNFT v1 #64830…
- PDB
- 3GEY
- Type
- protein
- Length
- 768 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poly [ADP-ribose] polymerase 15
- EC
- 2.4.2.30
- UniProt
- Q460N3
- Ligands
- P34
- Pockets
- 10 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Poly [ADP-ribose] polymerase 15 (EC 2.4.2.30) | protein | 188 | 26% helix, 34% strand | Q460N3 |
| B | Poly [ADP-ribose] polymerase 15 (EC 2.4.2.30) | protein | 190 | 24% helix, 29% strand | Q460N3 |
| C | Poly [ADP-ribose] polymerase 15 (EC 2.4.2.30) | protein | 195 | 23% helix, 30% strand | Q460N3 |
| D | Poly [ADP-ribose] polymerase 15 (EC 2.4.2.30) | protein | 195 | 23% helix, 30% strand | Q460N3 |
Ligands and binding sites
- P34 · N~2~,N~2~-dimethyl-N~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.79 | 0.90 | 31 | empty |
| 2 | 270 | 0.78 | 0.90 | 34 | empty |
| 3 | 269 | 0.76 | 0.89 | 32 | empty |
| 4 | 221 | 0.74 | 0.89 | 28 | empty |
| 5 | 217 | 0.63 | 0.82 | 31 | empty |
Interfaces
3 interfaces between chains.
- A–D · 1093 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1079 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 534 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3GEY · Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment in complex… · the same entry in another collection · chain D against D, TM-score 1.00
- Q460N3 · AlphaFold monomer V2.0 prediction for protein mono-ADP- ribosyltransferase PARP15 (Q460N3) · 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 Q460N3
- Elsewhere: RCSB PDB 3GEY · PDBe 3GEY · UniProt Q460N3
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