MolNFT v1 · #59036 · protein
Crystal structure of human POLY(ADP-ribose) polymerase 15, catalytic fragment
3BLJ: “Crystal structure of human POLY(ADP-ribose) polymerase 15, catalytic fragment”. X-ray diffraction, 2 ligands (NA, CL), 5 pockets (best druggability 0.78). MolNFT v1 #59036 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3BLJ
- Type
- protein
- Length
- 390 residues
- Chains
- 2
- 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
- NA, CL
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | POLY(ADP-ribose) polymerase 15 (EC 2.4.2.30) | protein | 192 | 24% helix, 30% strand | Q460N3 |
| B | POLY(ADP-ribose) polymerase 15 (EC 2.4.2.30) | protein | 198 | 24% helix, 29% strand | Q460N3 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 2 copies · chains A, B
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 | 337 | 0.78 | 0.89 | 35 | GOL |
| 2 | 227 | 0.72 | 0.88 | 30 | empty |
| 3 | 155 | 0.61 | 0.84 | 26 | empty |
| 4 | 153 | 0.51 | 0.78 | 23 | CL |
| 5 | 74 | 0.35 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1090 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3BLJ · Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment · the same entry in another collection · chain A against A, 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 0.99
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 3BLJ · PDBe 3BLJ · UniProt Q460N3
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