Research workbench
Crystal structure of human tankyrase 2 in complex with 4HQN.
Analyse Crystal structure of human tankyrase 2 in complex with 4HQN. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PNN
- Type
- protein
- Length
- 806 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tankyrase-2
- EC
- 2.4.2.30
- UniProt
- Q9H2K2
- Ligands
- JPZ, ZN
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 24% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tankyrase-2 (EC 2.4.2.30) | protein | 199 | 24% helix, 26% strand | Q9H2K2 |
| B | Tankyrase-2 (EC 2.4.2.30) | protein | 205 | 24% helix, 27% strand | Q9H2K2 |
| C | Tankyrase-2 (EC 2.4.2.30) | protein | 208 | 24% helix, 28% strand | Q9H2K2 |
| D | Tankyrase-2 (EC 2.4.2.30) | protein | 194 | 25% helix, 27% strand | Q9H2K2 |
Ligands and binding sites
- JPZ · quinazolin-4(1H)-one · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 987 | 0.77 | 0.79 | 111 | JPZ |
| 2 | 496 | 0.69 | 0.80 | 68 | empty |
| 3 | 567 | 0.68 | 0.78 | 65 | JPZ |
| 4 | 433 | 0.62 | 0.76 | 49 | JPZ |
| 5 | 59 | 0.30 | 0.75 | 9 | empty |
Interfaces
3 interfaces between chains.
- A–C · 971 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 955 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 509 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4PNN · Crystal Structure of human Tankyrase 2 in complex with 4HQN. · 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 4PNN · PDBe 4PNN · UniProt Q9H2K2
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