MolNFT v1 · #126252 · protein
Human PARP10 (ARTD10), catalytic fragment in complex with parp inhibitor veliparib
5LX6 · Poly [ADP-ribose] polymerase 10: “Human PARP10 (ARTD10), catalytic fragment in complex with parp inhibitor veliparib”. X-ray diffraction, 1 ligand (78P), 3 pockets (best druggability 0.77). MolNFT v1 #126252 on GenesisL1: 3D…
- PDB
- 5LX6
- Type
- protein
- Length
- 380 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
- 78P
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Poly [ADP-ribose] polymerase 10 (EC 2.4.2.30) | protein | 191 | 26% helix, 28% strand | Q53GL7 |
| B | Poly [ADP-ribose] polymerase 10 (EC 2.4.2.30) | protein | 189 | 26% helix, 29% strand | Q53GL7 |
Ligands and binding sites
- 78P · (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 656 | 0.77 | 0.82 | 62 | 78P |
| 2 | 327 | 0.72 | 0.85 | 35 | empty |
| 3 | 315 | 0.63 | 0.79 | 30 | 78P |
Interfaces
1 interface between chains.
- A–B · 937 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 5LX6 · Human PARP10 (ARTD10), catalytic fragment in complex with PARP inhibitor Veliparib · 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 5LX6 · PDBe 5LX6 · UniProt Q53GL7
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