MolNFT v1 · #66251 · protein
Human POLY(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor 3-aminobenzamide
3HKV · Poly [ADP-ribose] polymerase 10: “Human POLY(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor 3-aminobenzamide”. X-ray diffraction, 3 ligands (3AB, NA, PO4), 5 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 3HKV
- Type
- protein
- Length
- 383 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poly [ADP-ribose] polymerase 10
- EC
- 2.4.2.30
- UniProt
- Q53GL7
- Ligands
- 3AB, NA, PO4
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Poly [ADP-ribose] polymerase 10 (EC 2.4.2.30) | protein | 192 | 25% helix, 30% strand | Q53GL7 |
| B | Poly [ADP-ribose] polymerase 10 (EC 2.4.2.30) | protein | 191 | 25% helix, 28% strand | Q53GL7 |
Ligands and binding sites
- 3AB · 3-aminobenzamide · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 3 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.76 | 0.97 | 24 | empty |
| 2 | 237 | 0.69 | 0.85 | 33 | empty |
| 3 | 308 | 0.63 | 0.80 | 29 | empty |
| 4 | 124 | 0.56 | 0.83 | 25 | 3AB |
| 5 | 97 | 0.51 | 0.83 | 20 | 3AB |
Interfaces
1 interface between chains.
- A–B · 1167 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3HKV · Human poly(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- Q53GL7 · AlphaFold monomer V2.0 prediction for protein mono-ADP- ribosyltransferase PARP10 (Q53GL7) · 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 Q53GL7
- Elsewhere: RCSB PDB 3HKV · PDBe 3HKV · UniProt Q53GL7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.