MolNFT v1 · #157278 · protein
Structure of full-length IP3R1 channel bound with adenophostin a
6MU1 · Inositol 1,4,5-trisphosphate receptor type 1: “Structure of full-length IP3R1 channel bound with adenophostin a”. Electron microscopy, 1 ligand (JYP), 20 pockets (best druggability 0.87). MolNFT v1 #157278 on GenesisL1: 3D…
- PDB
- 6MU1
- Type
- protein
- Length
- 8,596 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol 1,4,5-trisphosphate receptor type 1
- UniProt
- P29994
- Ligands
- JYP
- Pockets
- 20 · best druggability 0.87
Structure
electron microscopy · 1 distinct chain · 54% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, B, D | Inositol 1,4,5-trisphosphate receptor type 1 | protein | 2149 | 54% helix, 4% strand | P29994 |
Ligands and binding sites
- JYP · Adenophostin A · ligand · 4 copies · chains A, C, B, D
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 | 851 | 0.87 | 0.90 | 70 | empty |
| 2 | 996 | 0.87 | 0.88 | 117 | empty |
| 3 | 954 | 0.87 | 0.88 | 128 | empty |
| 4 | 1071 | 0.86 | 0.87 | 135 | empty |
| 5 | 1045 | 0.85 | 0.86 | 129 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3536 Ų buried · 50 hydrogen bonds · protein-protein
- C–D · 3437 Ų buried · 45 hydrogen bonds · protein-protein
- A–D · 3396 Ų buried · 40 hydrogen bonds · protein-protein
- C–B · 3309 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 275 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 covalent (covalent ligand).
Compared structures
- 6MU1 · Structure of full-length IP3R1 channel bound with Adenophostin A · 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 6MU1 · PDBe 6MU1 · UniProt P29994
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.