MolNFT v1 · #42791 · protein
NMR structure of P62 PB1 dimer determined based on pcs
2KTR · Sequestosome-1: “NMR structure of P62 PB1 dimer determined based on pcs”. Solution nmr, 1 ligand (TB), 3 pockets (best druggability 0.47). MolNFT v1 #42791 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2KTR
- Type
- protein
- Length
- 197 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sequestosome-1
- UniProt
- O08623
- Ligands
- TB
- Pockets
- 3 · best druggability 0.47
Structure
solution nmr · 2 distinct chains · 22% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sequestosome-1 | protein | 98 | 22% helix, 36% strand | O08623 |
| B | Sequestosome-1 | protein | 99 | 22% helix, 37% strand | O08623 |
Ligands and binding sites
- TB · Terbium(iii) ion · metal
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.47 | 0.81 | 21 | empty |
| 2 | 65 | 0.45 | 0.82 | 15 | empty |
| 3 | 54 | 0.36 | 0.80 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 429 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
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 O08623
- Elsewhere: RCSB PDB 2KTR · PDBe 2KTR · UniProt O08623
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