Research workbench
Crystal structure of human POLY(ADP-ribose) polymerase 14, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Analyse Crystal structure of human POLY(ADP-ribose) polymerase 14, catalytic fragment… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GOY
- Type
- protein
- Length
- 725 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poly [ADP-ribose] polymerase 14
- EC
- 2.4.2.30
- UniProt
- Q460N5
- Ligands
- 3AB
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Poly [ADP-ribose] polymerase 14 (EC 2.4.2.30) | protein | 181 | 22% helix, 30% strand | Q460N5 |
| D | Poly [ADP-ribose] polymerase 14 (EC 2.4.2.30) | protein | 182 | 24% helix, 30% strand | Q460N5 |
Ligands and binding sites
- 3AB · 3-aminobenzamide · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 720 | 0.73 | 0.79 | 38 | empty |
| 2 | 104 | 0.39 | 0.75 | 19 | 3AB |
| 3 | 96 | 0.39 | 0.76 | 16 | empty |
| 4 | 104 | 0.38 | 0.75 | 19 | 3AB |
| 5 | 104 | 0.38 | 0.75 | 14 | empty |
Interfaces
4 interfaces between chains.
- B–D · 663 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 661 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 197 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 105 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3GOY · Crystal structure of human poly(adp-ribose) polymerase 14, catalytic fragment in complex… · the same entry in another collection · chain C against C, TM-score 1.00
- Q460N5 · AlphaFold monomer V2.0 prediction for protein mono-ADP- ribosyltransferase PARP14 (Q460N5) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q460N5
- Elsewhere: RCSB PDB 3GOY · PDBe 3GOY · UniProt Q460N5
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