MolNFT v1 · #90562 · protein
The 1.62A structure of a fret-optimized cerulean fluorescent protein
4EN1 · Green fluorescent protein: “The 1.62A structure of a fret-optimized cerulean fluorescent protein”. X-ray diffraction, 2 ligands (SWG, SO4), 7 pockets (best druggability 0.76). MolNFT v1 #90562 on GenesisL1: 3D structure, binding…
- PDB
- 4EN1
- Type
- protein
- Length
- 460 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Green fluorescent protein
- UniProt
- P42212
- Ligands
- SWG, SO4
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Green fluorescent protein | protein | 235 | 11% helix, 51% strand | P42212 |
| B | Green fluorescent protein | protein | 225 | 11% helix, 53% strand | P42212 |
Ligands and binding sites
- SWG · 2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
- GOL · Glycerol · additive · 10 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.76 | 0.97 | 23 | SWG |
| 2 | 96 | 0.75 | 0.97 | 23 | SWG |
| 3 | 253 | 0.64 | 0.82 | 29 | GOL |
| 4 | 362 | 0.60 | 0.77 | 48 | GOL |
| 5 | 59 | 0.59 | 0.90 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 724 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 4EN1 · The 1.62A structure of a FRET-optimized Cerulean Fluorescent Protein · the same entry in another collection · chain A against A, TM-score 1.00
- P42212 · AlphaFold monomer V2.0 prediction for green fluorescent protein (P42212) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P42212
- Elsewhere: RCSB PDB 4EN1 · PDBe 4EN1 · UniProt P42212
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