Research workbench
Crystal structure of human tankyrase 2 in complex with OD39
Analyse Crystal structure of human tankyrase 2 in complex with OD39 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5ADS
- 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
- QNS, BCT, ZN, SO4
- Pockets
- 1 · best druggability 0.70
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
- QNS · N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide · ligand · chains A
- BCT · Bicarbonate ion · ligand · chains A, B
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 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 | 394 | 0.70 | 0.82 | 48 | SO4, QNS, BCT |
Interfaces
1 interface between chains.
- A–B · 3068 Ų buried · 66 hydrogen bonds · protein-protein
Compared structures
- 5ADS · Crystal structure of human tankyrase 2 in complex with OD39 · 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 5ADS · PDBe 5ADS · UniProt Q9H2K2
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