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Crystal structure of fast switching M159T mutant of fluorescent protein dronpa (DRONPA2)- Y63(3-omey)
Analyse Crystal structure of fast switching M159T mutant of fluorescent protein dronpa… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NQS
- Type
- protein
- Length
- 1,744 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fluorescent protein dronpa
- UniProt
- Q5TLG6
- Ligands
- KXV
- Pockets
- 18 · best druggability 0.78
Structure
x-ray diffraction · 6 distinct chains · 4% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G | Fluorescent protein dronpa | protein | 221 | 5% helix, 56% strand | Q5TLG6 |
| B | Fluorescent protein dronpa | protein | 223 | 5% helix, 56% strand | Q5TLG6 |
| C | Fluorescent protein dronpa | protein | 213 | 4% helix, 58% strand | Q5TLG6 |
| D | Fluorescent protein dronpa | protein | 214 | 4% helix, 58% strand | Q5TLG6 |
| E, F | Fluorescent protein dronpa | protein | 215 | 4% helix, 58% strand | Q5TLG6 |
| H | Fluorescent protein dronpa | protein | 222 | 4% helix, 56% strand | Q5TLG6 |
Ligands and binding sites
- KXV · {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 102 | 0.78 | 0.98 | 24 | KXV |
| 2 | 101 | 0.77 | 0.97 | 27 | KXV |
| 3 | 95 | 0.76 | 0.97 | 25 | KXV |
| 4 | 93 | 0.76 | 0.98 | 27 | KXV |
| 5 | 101 | 0.76 | 0.96 | 29 | KXV |
Interfaces
11 interfaces between chains.
- B–H · 901 Ų buried · 21 hydrogen bonds · protein-protein
- C–E · 897 Ų buried · 22 hydrogen bonds · protein-protein
- B–F · 225 Ų buried · 1 hydrogen bond · protein-protein
- C–G · 209 Ų buried · 1 hydrogen bond · protein-protein
- E–G · 202 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 16 covalent (covalent ligand).
Compared structures
- 6NQS · Crystal structure of fast switching M159T mutant of fluorescent protein Dronpa (Dronpa2)… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5TLG6
- Elsewhere: RCSB PDB 6NQS · PDBe 6NQS · UniProt Q5TLG6
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