MolNFT v1 · #182370 · protein
Crystal structure of native bovine arrestin 1 in complex with 5- methylenebiphosphonate inositol pentakisphaophate (5-pcp IP5)
7MOR · S-arrestin: “Crystal structure of native bovine arrestin 1 in complex with 5- methylenebiphosphonate inositol…”. X-ray diffraction, 1 ligand (5A3), 16 pockets (best druggability 0.73). MolNFT v1 #182370 on GenesisL1: 3D structure…
- PDB
- 7MOR
- Type
- protein
- Length
- 1,435 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-arrestin
- UniProt
- P08168
- Ligands
- 5A3
- Pockets
- 16 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-arrestin | protein | 362 | 6% helix, 50% strand | P08168 |
| B | S-arrestin | protein | 351 | 8% helix, 49% strand | P08168 |
| C | S-arrestin | protein | 361 | 7% helix, 49% strand | P08168 |
| D | S-arrestin | protein | 361 | 8% helix, 50% strand | P08168 |
Ligands and binding sites
- 5A3 · Methylenebisphosphonate inositol pentakisphosphate · ligand · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.73 | 0.79 | 83 | empty |
| 2 | 922 | 0.73 | 0.77 | 84 | empty |
| 3 | 159 | 0.54 | 0.80 | 30 | empty |
| 4 | 103 | 0.54 | 0.84 | 21 | empty |
| 5 | 100 | 0.52 | 0.83 | 20 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1070 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 1046 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 599 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 597 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 14 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7MOR · Crystal structure of native bovine arrestin 1 in complex with 5-methylenebiphosphonate… · 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 7MOR · PDBe 7MOR · UniProt P08168
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