Research workbench
Crystal structure of human tankyrase 2 in complex with OD336
Analyse Crystal structure of human tankyrase 2 in complex with OD336 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5NOB
- Type
- protein
- Length
- 405 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tankyrase-2
- EC
- 2.4.2.30
- UniProt
- Q9H2K2
- Ligands
- 92T, ZN
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tankyrase-2 (EC 2.4.2.30) | protein | 203 | 24% helix, 28% strand | Q9H2K2 |
| B | Tankyrase-2 (EC 2.4.2.30) | protein | 202 | 25% helix, 29% strand | Q9H2K2 |
Ligands and binding sites
- 92T · 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 161 | 0.74 | 0.92 | 33 | empty |
| 2 | 345 | 0.64 | 0.79 | 39 | 92T |
| 3 | 316 | 0.64 | 0.79 | 38 | 92T |
Interfaces
1 interface between chains.
- A–B · 606 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5NOB · Crystal structure of human tankyrase 2 in complex with OD336 · the same entry in another collection · chain B against B, 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 5NOB · PDBe 5NOB · UniProt Q9H2K2
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