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Crystal structure of a photoswitchable GFP-like protein dronpa in the bright-state

Analyse Crystal structure of a photoswitchable GFP-like protein dronpa in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2Z6Y
Type
protein
Length
854 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fluorescent protein dronpa
UniProt
Q5TLG6
Ligands
GYC
Pockets
13 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 58% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFluorescent protein dronpaprotein2144% helix, 58% strandQ5TLG6
C, DFluorescent protein dronpaprotein2134% helix, 58% strandQ5TLG6

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

13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111280.830.85103empty
2880.770.9929GYC
3770.750.9826GYC
4870.750.9729GYC
5620.720.9821GYC

Interfaces

4 interfaces between chains.

  • A–C · 1048 Ų buried · 21 hydrogen bonds · protein-protein
  • B–D · 1043 Ų buried · 22 hydrogen bonds · protein-protein
  • A–B · 892 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 850 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 covalent (covalent ligand).

Compared structures

  • 2Z6Y · Crystal structure of a photoswitchable GFP-like protein Dronpa in the bright-state · the same entry in another collection · chain A against A, TM-score 1.00

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