MolNFT v1 · #116416 · protein
Tankyrase 2 complexed with a selective inhibitor
5DCZ · Tankyrase-2: “Tankyrase 2 complexed with a selective inhibitor”. X-ray diffraction, 3 ligands (59B, ZN, PO4), 1 pocket (best druggability 0.60). MolNFT v1 #116416 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5DCZ
- Type
- protein
- Length
- 203 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tankyrase-2
- EC
- 2.4.2.30
- UniProt
- Q9H2K2
- Ligands
- 59B, ZN, PO4
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tankyrase-2 (EC 2.4.2.30) | protein | 203 | 24% helix, 29% strand | Q9H2K2 |
Ligands and binding sites
- 59B · morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone · ligand · chains A
- ZN · Zinc ion · metal · chains A
- PO4 · Phosphate ion · ion · chains A
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 | 197 | 0.60 | 0.81 | 30 | 59B |
Compared structures
- 5DCZ · Tankyrase 2 complexed with a selective inhibitor · 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 5DCZ · PDBe 5DCZ · UniProt Q9H2K2
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