MolNFT v1 · #123366 · protein
Arcs 1-3 of human tankyrase-1 bound to a peptide derived from irap
5JHQ: “Arcs 1-3 of human tankyrase-1 bound to a peptide derived from irap”. X-ray diffraction, 14 pockets (best druggability 0.72). MolNFT v1 #123366 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5JHQ
- Type
- protein
- Length
- 1,931 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tankyrase-1; Peptide derived from insulin-responsive aminopeptidase (irap)
- EC
- 2.4.2.30
- UniProt
- O95271
- Pockets
- 14 · best druggability 0.72
Structure
x-ray diffraction · 8 distinct chains · 49% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tankyrase-1 (EC 2.4.2.30) | protein | 462 | 51% helix, 0% strand | O95271 |
| B, C | Tankyrase-1 (EC 2.4.2.30) | protein | 461 | 51% helix, 0% strand | O95271 |
| D | Tankyrase-1 (EC 2.4.2.30) | protein | 463 | 50% helix, 0% strand | O95271 |
| E | Peptide derived from insulin-responsive aminopeptidase (irap) | protein | 12 | 0% helix, 0% strand | — |
| F | Peptide derived from insulin-responsive aminopeptidase (irap) | protein | 11 | 0% helix, 0% strand | — |
| G, I | Peptide derived from insulin-responsive aminopeptidase (irap) | protein | 11 | 0% helix, 0% strand | — |
| H, J, K | Peptide derived from insulin-responsive aminopeptidase (irap) | protein | 10 | 0% helix, 0% strand | — |
| L | Peptide derived from insulin-responsive aminopeptidase (irap) | protein | 9 | 0% helix, 0% strand | — |
Pockets
14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 895 | 0.72 | 0.77 | 87 | empty |
| 2 | 964 | 0.70 | 0.75 | 91 | empty |
| 3 | 762 | 0.70 | 0.77 | 62 | empty |
| 4 | 843 | 0.70 | 0.76 | 70 | empty |
| 5 | 673 | 0.64 | 0.74 | 60 | empty |
Interfaces
16 interfaces between chains.
- A–D · 1063 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 1053 Ų buried · 6 hydrogen bonds · protein-protein
- A–F · 650 Ų buried · 12 hydrogen bonds · protein-protein
- A–E · 619 Ų buried · 12 hydrogen bonds · protein-protein
- D–K · 602 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5JHQ · ARCs 1-3 of human Tankyrase-1 bound to a peptide derived from IRAP · 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 O95271
- Elsewhere: RCSB PDB 5JHQ · PDBe 5JHQ · UniProt O95271
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