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Xfel structure of the on state of a reversibly photoswitching fluorescent protein determined using the droplet injection method

Analyse Xfel structure of the on state of a reversibly photoswitching fluorescent… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5OQE
Type
protein
Length
216 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green to red photoconvertible GFP-like protein eosfp
UniProt
Q5S6Z9
Ligands
VYA
Pockets
2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 58% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen to red photoconvertible GFP-like protein eosfpprotein2166% helix, 58% strandQ5S6Z9

Ligands and binding sites

  • VYA · 2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.760.9727VYA
2720.410.7920empty

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 5OQE · XFEL structure of the on state of a reversibly photoswitching fluorescent protein… · the same entry in another collection · chain A against A, TM-score 1.00

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