MolNFT v1 · #118141 · protein
Crystal structure of MYO3B-ARB1 in complex with ESPIN1-ar
5ET1: “Crystal structure of MYO3B-ARB1 in complex with ESPIN1-ar”. X-ray diffraction, 6 pockets (best druggability 0.56). MolNFT v1 #118141 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ET1
- Type
- protein
- Length
- 708 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 0.56
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Espin | protein | 331 | 53% helix, 0% strand | Q9ET47 |
| C, D | Myosin-iiib | protein | 23 | 48% helix, 0% strand | Q1EG27 |
Ligands and binding sites
- GOL · Glycerol · additive · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 279 | 0.56 | 0.77 | 41 | empty |
| 2 | 215 | 0.46 | 0.74 | 31 | empty |
| 3 | 113 | 0.44 | 0.77 | 15 | empty |
| 4 | 108 | 0.42 | 0.77 | 15 | GOL |
| 5 | 95 | 0.41 | 0.77 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1290 Ų buried · 24 hydrogen bonds · protein-protein
- B–D · 1259 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 345 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5ET1 · Crystal structure of Myo3b-ARB1 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 A against A, TM-score 0.99
- Q1EG27 · AlphaFold monomer V2.0 prediction for myosin-iiib (Q1EG27) · a predicted model of the same protein · chain C against A, TM-score 0.43
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 5ET1 · PDBe 5ET1 · UniProt Q9ET47 · UniProt Q1EG27
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