MolNFT v1 · #179033 · protein
Crystal structure of native bovine arrestin 1 in complex with inositol hexakisphosphate
7JTB · S-arrestin: “Crystal structure of native bovine arrestin 1 in complex with inositol hexakisphosphate”. X-ray diffraction, 1 ligand (IHP), 11 pockets (best druggability 0.74). MolNFT v1 #179033 on GenesisL1: 3D structure, binding…
- PDB
- 7JTB
- Type
- protein
- Length
- 1,462 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-arrestin
- UniProt
- P08168
- Ligands
- IHP
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-arrestin | protein | 371 | 5% helix, 49% strand | P08168 |
| B | S-arrestin | protein | 361 | 7% helix, 51% strand | P08168 |
| C | S-arrestin | protein | 362 | 6% helix, 50% strand | P08168 |
| D | S-arrestin | protein | 368 | 7% helix, 51% strand | P08168 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · 4 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 881 | 0.74 | 0.78 | 102 | empty |
| 2 | 900 | 0.73 | 0.77 | 85 | empty |
| 3 | 120 | 0.53 | 0.82 | 23 | empty |
| 4 | 89 | 0.52 | 0.84 | 21 | empty |
| 5 | 94 | 0.51 | 0.83 | 21 | empty |
Interfaces
5 interfaces between chains.
- A–D · 1116 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1027 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 636 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 585 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 12 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7JTB · Crystal structure of native bovine arrestin 1 in complex with inositol hexakisphosphate · 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 7JTB · PDBe 7JTB · UniProt P08168
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