MolNFT v1 · #45378 · protein
Complex structure of myub (1080-1122) of human myosin VI with K63-diub
2N13 · Unconventional myosin-VI: “Complex structure of myub (1080-1122) of human myosin VI with K63-diub”. Solution nmr, 3 pockets (best druggability 0.56). MolNFT v1 #45378 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2N13
- Type
- protein
- Length
- 238 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Unconventional myosin-VI; Ubiquitin
- UniProt
- Q9UM54, P0CG47
- Pockets
- 3 · best druggability 0.56
Structure
solution nmr · 3 distinct chains · 29% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Unconventional myosin-VI | protein | 43 | 60% helix, 0% strand | Q9UM54 |
| B | Ubiquitin | protein | 76 | 22% helix, 28% strand | P0CG47 |
| C | Ubiquitin | protein | 76 | 18% helix, 28% strand | P0CG47 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.56 | 0.90 | 19 | empty |
| 2 | 116 | 0.42 | 0.77 | 21 | empty |
| 3 | 69 | 0.32 | 0.75 | 16 | empty |
Interfaces
4 interfaces between chains.
- C–D · 613 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 581 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 283 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 171 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 isopeptide (isopeptide).
Compared structures
- 2N13 · Complex structure of MyUb (1080-1122) of human Myosin VI with K63-diUb · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UM54 · AlphaFold monomer V2.0 prediction for unconventional myosin-VI (Q9UM54) · a predicted model of the same protein · chain A against A, TM-score 0.76
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 Q9UM54
- Every structure of UniProt P0CG47
- Elsewhere: RCSB PDB 2N13 · PDBe 2N13 · UniProt Q9UM54 · UniProt P0CG47
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