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Crystal structure of a monomeric cyan fluorescent protein in the photobleached state

Analyse Crystal structure of a monomeric cyan fluorescent protein in the photobleached… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2OTE
Type
protein
Length
426 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GFP-like fluorescent chromoprotein CFP484
UniProt
Q9U6Y3
Ligands
PIA
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 58% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGFP-like fluorescent chromoprotein CFP484protein2134% helix, 58% strandQ9U6Y3

Ligands and binding sites

  • PIA · [(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid · ligand · 2 copies · chains A, B
  • ACT · Acetate ion · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.720.9924PIA
2570.710.9919PIA
31770.480.7634empty
41460.450.7628ACT

Interfaces

1 interface between chains.

  • A–B · 711 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 2OTE · Crystal structure of a monomeric cyan fluorescent protein in the photobleached state · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9U6Y3 · AlphaFold monomer V2.0 prediction for GFP-like fluorescent chromoprotein CFP484 (Q9U6Y3) · a predicted model of the same protein · chain A against A, TM-score 0.99

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