MolNFT v1 · #113382 · protein
Crystal structure of human tankyrase 2 in complex with OD38
5ADR · Tankyrase-2: “Crystal structure of human tankyrase 2 in complex with OD38”. X-ray diffraction, 4 ligands (QS5, BCT, ZN), 1 pocket (best druggability 0.71). MolNFT v1 #113382 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5ADR
- Type
- protein
- Length
- 208 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tankyrase-2
- UniProt
- Q9H2K2
- Ligands
- QS5, BCT, ZN, SO4
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tankyrase-2 | protein | 162 | 28% helix, 25% strand | Q9H2K2 |
| B | Tankyrase-2 | protein | 46 | 7% helix, 46% strand | Q9H2K2 |
Ligands and binding sites
- QS5 · N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide · ligand · chains A
- BCT · Bicarbonate ion · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
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 | 359 | 0.71 | 0.83 | 45 | SO4, QS5, BCT |
Interfaces
1 interface between chains.
- A–B · 3016 Ų buried · 65 hydrogen bonds · protein-protein
Compared structures
- 5ADR · Crystal structure of human tankyrase 2 in complex with OD38 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9H2K2
- Elsewhere: RCSB PDB 5ADR · PDBe 5ADR · UniProt Q9H2K2
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