MolNFT v1 · #131912 · protein
Pandda analysis group deposition -- crystal structure of human PARP14 macrodomain 3 in complex with FMOPL000597A
5QI6 · Poly [ADP-ribose] polymerase 14: “Pandda analysis group deposition -- crystal structure of human PARP14 macrodomain 3 in complex with…”. X-ray diffraction, 2 ligands (GV7, CL), 1 pocket (best druggability 0.52). MolNFT v1 #131912 on…
- PDB
- 5QI6
- Type
- protein
- Length
- 182 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poly [ADP-ribose] polymerase 14
- EC
- 2.4.2.-
- UniProt
- Q460N5
- Ligands
- GV7, CL
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Poly [ADP-ribose] polymerase 14 (EC 2.4.2.-) | protein | 182 | 38% helix, 26% strand | Q460N5 |
Ligands and binding sites
- GV7 · 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) amino]phenol · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.52 | 0.83 | 23 | CL |
Compared structures
- 5QI6 · PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in… · the same entry in another collection · chain A against A, 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 0.98
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 Q460N5
- Elsewhere: RCSB PDB 5QI6 · PDBe 5QI6 · UniProt Q460N5
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