MolNFT v1 · #120261 · protein
Crystal structure of inositol 1,4,5-trisphosphate receptor large cytosolic domain with inositol 1,4,5-trisphosphate
5GUG · Inositol 1,4,5-trisphosphate receptor type 1: “Crystal structure of inositol 1,4,5-trisphosphate receptor large cytosolic domain with inositol…”. X-ray diffraction, 1 ligand (I3P), 20 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 5GUG
- Type
- protein
- Length
- 3,441 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
- P11881
- Ligands
- I3P
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol 1,4,5-trisphosphate receptor type 1 | protein | 1721 | 50% helix, 8% strand | P11881 |
| B | Inositol 1,4,5-trisphosphate receptor type 1 | protein | 1720 | 51% helix, 8% strand | P11881 |
Ligands and binding sites
- I3P · D-myo-inositol-1,4,5-triphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 917 | 0.86 | 0.88 | 118 | empty |
| 2 | 713 | 0.83 | 0.87 | 89 | empty |
| 3 | 716 | 0.80 | 0.84 | 84 | empty |
| 4 | 1129 | 0.80 | 0.82 | 117 | empty |
| 5 | 1144 | 0.79 | 0.81 | 116 | empty |
Interfaces
1 interface between chains.
- A–B · 505 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5GUG · Crystal structure of inositol 1,4,5-trisphosphate receptor large cytosolic domain with… · 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 P11881
- Elsewhere: RCSB PDB 5GUG · PDBe 5GUG · UniProt P11881
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