MolNFT v1 · #108007 · protein
Room temperature crystal structure of the fast switching M159T mutant of fluorescent protein dronpa
4UTS: “Room temperature crystal structure of the fast switching M159T mutant of fluorescent protein dronpa”. X-ray diffraction, 1 ligand (GYC), 10 pockets (best druggability 0.80). MolNFT v1 #108007 on GenesisL1: 3D structure, binding…
- PDB
- 4UTS
- Type
- protein
- Length
- 852 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fluorescent protein dronpa
- UniProt
- Q5TLG6
- Ligands
- GYC
- Pockets
- 10 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Fluorescent protein dronpa | protein | 213 | 3% helix, 58% strand | Q5TLG6 |
Ligands and binding sites
- GYC · [(4Z)-2-[(1R)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1008 | 0.80 | 0.82 | 130 | empty |
| 2 | 93 | 0.78 | 0.99 | 27 | GYC |
| 3 | 86 | 0.76 | 0.98 | 25 | GYC |
| 4 | 88 | 0.76 | 0.98 | 25 | GYC |
| 5 | 86 | 0.75 | 0.97 | 25 | GYC |
Interfaces
4 interfaces between chains.
- C–D · 827 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 806 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 599 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 504 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 covalent (covalent ligand).
Compared structures
- 4UTS · Room temperature crystal structure of the fast switching M159T mutant of fluorescent… · 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 4UTS · PDBe 4UTS · UniProt Q5TLG6
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