MolNFT v1 · #182381 · protein
Crystal structure of native bovine arrestin 1 in complex with 1D-myo- inositol 1,5-bisdiphosphate tetrakisphosphate (1,5-pp IP4)
7MP2 · S-arrestin: “Crystal structure of native bovine arrestin 1 in complex with 1D-myo- inositol 1,5-bisdiphosphate…”. X-ray diffraction, 1 ligand (I8P), 18 pockets (best druggability 0.70). MolNFT v1 #182381 on GenesisL1: 3D structure…
- PDB
- 7MP2
- Type
- protein
- Length
- 1,461 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-arrestin
- UniProt
- P08168
- Ligands
- I8P
- Pockets
- 18 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 4% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-arrestin | protein | 369 | 4% helix, 49% strand | P08168 |
| B | S-arrestin | protein | 361 | 4% helix, 51% strand | P08168 |
| C | S-arrestin | protein | 364 | 4% helix, 50% strand | P08168 |
| D | S-arrestin | protein | 367 | 5% helix, 50% strand | P08168 |
Ligands and binding sites
- I8P · (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy) cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] · ligand · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 866 | 0.70 | 0.76 | 81 | empty |
| 2 | 875 | 0.69 | 0.75 | 91 | empty |
| 3 | 121 | 0.57 | 0.84 | 24 | empty |
| 4 | 106 | 0.53 | 0.83 | 23 | empty |
| 5 | 100 | 0.52 | 0.83 | 21 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1125 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 1023 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 616 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 584 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 16 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7MP2 · Crystal structure of native bovine arrestin 1 in complex with 1D-myo-inositol… · the same entry in another collection · chain D against D, TM-score 1.00
- P08168 · AlphaFold monomer V2.0 prediction for S-arrestin (P08168) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 P08168
- Elsewhere: RCSB PDB 7MP2 · PDBe 7MP2 · UniProt P08168
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.