Research workbench
Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor
Analyse Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UJ4
- Type
- protein
- Length
- 976 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol 1,4,5-trisphosphate receptor type 1
- UniProt
- P29994
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol 1,4,5-trisphosphate receptor type 1 | protein | 486 | 26% helix, 34% strand | P29994 |
| B | Inositol 1,4,5-trisphosphate receptor type 1 | protein | 490 | 27% helix, 32% strand | P29994 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.80 | 0.93 | 34 | empty |
| 2 | 798 | 0.78 | 0.81 | 78 | empty |
| 3 | 749 | 0.77 | 0.81 | 80 | empty |
| 4 | 601 | 0.64 | 0.75 | 70 | empty |
| 5 | 409 | 0.59 | 0.75 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 888 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3UJ4 · Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor · 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 P29994
- Elsewhere: RCSB PDB 3UJ4 · PDBe 3UJ4 · UniProt P29994
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