MolNFT v1 · #118140 · protein
Crystal structure of MYO3B-ARB2 in complex with ESPIN1-ar
5ET0: “Crystal structure of MYO3B-ARB2 in complex with ESPIN1-ar”. X-ray diffraction, 6 pockets (best druggability 0.54). MolNFT v1 #118140 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ET0
- Type
- protein
- Length
- 693 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Espin; Myosin-iiib
- UniProt
- Q9ET47, Q1EG27
- Pockets
- 6 · best druggability 0.54
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Espin | protein | 327 | 56% helix, 0% strand | Q9ET47 |
| B, D | Myosin-iiib | protein | 20 | 15% helix, 0% strand | Q1EG27 |
| C | Espin | protein | 326 | 55% helix, 0% strand | Q9ET47 |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.54 | 0.82 | 23 | empty |
| 2 | 103 | 0.47 | 0.79 | 23 | empty |
| 3 | 116 | 0.39 | 0.75 | 21 | empty |
| 4 | 90 | 0.37 | 0.75 | 13 | empty |
| 5 | 91 | 0.37 | 0.75 | 14 | empty |
Interfaces
2 interfaces between chains.
- C–D · 906 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 901 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5ET0 · Crystal structure of Myo3b-ARB2 in complex with Espin1-AR · the same entry in another collection · chain A against A, TM-score 1.00
- Q9ET47 · AlphaFold monomer V2.0 prediction for espin (Q9ET47) · a predicted model of the same protein · chain C against A, TM-score 0.98
- Q1EG27 · AlphaFold monomer V2.0 prediction for myosin-iiib (Q1EG27) · a predicted model of the same protein · chain B against A, TM-score 0.24
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 Q9ET47
- Every structure of UniProt Q1EG27
- Elsewhere: RCSB PDB 5ET0 · PDBe 5ET0 · UniProt Q9ET47 · UniProt Q1EG27
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