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Structure of cockroach allergen bla G 1 tandem repeat as a egfp fusion

Analyse Structure of cockroach allergen bla G 1 tandem repeat as a egfp fusion in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JRB
Type
protein
Length
398 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein
UniProt
P42212, Q9UAM5
Ligands
D12, CR2, PGT, CL
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen fluorescent proteinprotein39839% helix, 29% strandP42212, Q9UAM5

Ligands and binding sites

  • D12 · Dodecane · ligand · 6 copies · chains A
  • CR2 · {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A
  • PGT · (1S)-2-{[{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate · ligand · chains A
  • CL · Chloride ion · ion · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1740.740.9825CR2
26130.630.7358PGT, D12
3670.430.8118empty

Modifications

Observed in the structure: 2 cofactor (chromophore).

Compared structures

  • 4JRB · Structure of Cockroach Allergen Bla g 1 Tandem Repeat as a EGFP fusion · 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 A against A, TM-score 0.57

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