Research workbench
Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone
Analyse Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HMH
- Type
- protein
- Length
- 208 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
- F94, ZN, SO4
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tankyrase-2 (EC 2.4.2.30) | protein | 161 | 29% helix, 25% strand | Q9H2K2 |
| C | Tankyrase-2 (EC 2.4.2.30) | protein | 47 | 6% helix, 45% strand | Q9H2K2 |
Ligands and binding sites
- F94 · 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one · ligand · chains A, C
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A, C
- GOL · Glycerol · additive · chains A, C
- PEG · Di(hydroxyethyl)ether · additive · chains A, C
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 | 227 | 0.61 | 0.81 | 39 | SO4, F94 |
Interfaces
1 interface between chains.
- A–C · 3036 Ų buried · 62 hydrogen bonds · protein-protein
Compared structures
- 4HMH · Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone · 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 4HMH · PDBe 4HMH · UniProt Q9H2K2
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