Research workbench
Human ARTD15/PARP16 in complex with 3-aminobenzamide
Analyse Human ARTD15/PARP16 in complex with 3-aminobenzamide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F0D
- Type
- protein
- Length
- 405 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poly [ADP-ribose] polymerase 16
- EC
- 2.4.2.30
- UniProt
- Q8N5Y8
- Ligands
- 3AB
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Poly [ADP-ribose] polymerase 16 (EC 2.4.2.30) | protein | 238 | 39% helix, 21% strand | Q8N5Y8 |
| B | Poly [ADP-ribose] polymerase 16 (EC 2.4.2.30) | protein | 167 | 35% helix, 16% strand | Q8N5Y8 |
Ligands and binding sites
- 3AB · 3-aminobenzamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 333 | 0.65 | 0.80 | 45 | empty |
| 2 | 175 | 0.52 | 0.78 | 24 | empty |
| 3 | 124 | 0.47 | 0.78 | 29 | empty |
| 4 | 78 | 0.45 | 0.81 | 19 | empty |
| 5 | 117 | 0.41 | 0.76 | 25 | 3AB |
Interfaces
1 interface between chains.
- A–B · 615 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4F0D · Human ARTD15/PARP16 IN COMPLEX WITH 3-AMINOBENZAMIDE · the same entry in another collection · chain A against A, TM-score 1.00
- Q8N5Y8 · AlphaFold monomer V2.0 prediction for protein mono-ADP- ribosyltransferase PARP16 (Q8N5Y8) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q8N5Y8
- Elsewhere: RCSB PDB 4F0D · PDBe 4F0D · UniProt Q8N5Y8
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