MolNFT v1 · #179945 · protein
Structure of the catalytic domain of tankyrase 1
7KKM · Poly [ADP-ribose] polymerase: “Structure of the catalytic domain of tankyrase 1”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.81). MolNFT v1 #179945 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KKM
- Type
- protein
- Length
- 798 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poly [ADP-ribose] polymerase
- EC
- 2.4.2.-
- UniProt
- Q59FX0
- Ligands
- ZN
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 24% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Poly [ADP-ribose] polymerase (EC 2.4.2.-) | protein | 205 | 22% helix, 28% strand | Q59FX0 |
| B | Poly [ADP-ribose] polymerase (EC 2.4.2.-) | protein | 199 | 25% helix, 28% strand | Q59FX0 |
| C | Poly [ADP-ribose] polymerase (EC 2.4.2.-) | protein | 201 | 25% helix, 29% strand | Q59FX0 |
| D | Poly [ADP-ribose] polymerase (EC 2.4.2.-) | protein | 193 | 26% helix, 28% strand | Q59FX0 |
Ligands and binding sites
- 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
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1165 | 0.81 | 0.82 | 134 | empty |
| 2 | 79 | 0.67 | 0.92 | 24 | empty |
| 3 | 59 | 0.63 | 0.92 | 18 | empty |
| 4 | 77 | 0.49 | 0.84 | 19 | empty |
| 5 | 90 | 0.48 | 0.82 | 17 | empty |
Interfaces
4 interfaces between chains.
- A–C · 916 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 566 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 125 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 13 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7KKM · Structure of the catalytic domain of tankyrase 1 · 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 Q59FX0
- Elsewhere: RCSB PDB 7KKM · PDBe 7KKM · UniProt Q59FX0
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