MolNFT v1 · #131913 · protein
Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal structure of human PARP14 macrodomain 3 in complex with FMOPL000506A
5QI7 · Poly [ADP-ribose] polymerase 14: “Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal structure of…”. X-ray diffraction, 2 ligands (GVV, CL), 1 pocket (best druggability 0.51). MolNFT v1…
- PDB
- 5QI7
- 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
- 2.4.2.30
- UniProt
- Q460N5
- Ligands
- GVV, CL
- Pockets
- 1 · best druggability 0.51
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 2.4.2.30) | protein | 182 | 38% helix, 26% strand | Q460N5 |
Ligands and binding sites
- GVV · ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide · 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 | 147 | 0.51 | 0.79 | 28 | CL, GVV |
Compared structures
- 5QI7 · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · 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 5QI7 · PDBe 5QI7 · UniProt Q460N5
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