MolNFT v1 · #103677 · protein
Crystal structure of human tankyrase 2 in complex with INH2BP.
4PNS · Tankyrase-2: “Crystal structure of human tankyrase 2 in complex with INH2BP.”. X-ray diffraction, 2 ligands (32Y, ZN), 12 pockets (best druggability 0.72). MolNFT v1 #103677 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4PNS
- Type
- protein
- Length
- 795 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
- 32Y, ZN
- Pockets
- 12 · best druggability 0.72
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 | 197 | 25% helix, 26% strand | Q9H2K2 |
| B | Tankyrase-2 (EC 2.4.2.30) | protein | 200 | 25% helix, 28% strand | Q9H2K2 |
| C | Tankyrase-2 (EC 2.4.2.30) | protein | 208 | 24% helix, 27% strand | Q9H2K2 |
| D | Tankyrase-2 (EC 2.4.2.30) | protein | 190 | 25% helix, 26% strand | Q9H2K2 |
Ligands and binding sites
- 32Y · 6-amino-5-iodo-2H-chromen-2-one · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 2 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.72 | 0.85 | 44 | empty |
| 2 | 466 | 0.69 | 0.80 | 63 | empty |
| 3 | 385 | 0.69 | 0.81 | 47 | 32Y |
| 4 | 117 | 0.65 | 0.89 | 39 | empty |
| 5 | 292 | 0.61 | 0.79 | 31 | 32Y |
Interfaces
3 interfaces between chains.
- B–D · 915 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 904 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 510 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4PNS · Crystal Structure of human Tankyrase 2 in complex with INH2BP. · 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 4PNS · PDBe 4PNS · UniProt Q9H2K2
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