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Crystal structure of green fluorescent protein (GFP); S65T, Y66(3- I1Y), H148D; circular permutant (50-51)

Analyse Crystal structure of green fluorescent protein (GFP); S65T, Y66(3- I1Y), H148D… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OGB
Type
protein
Length
453 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Crystal structure of green fluorescent protein (GFP)
Ligands
I1C
Pockets
7 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACrystal structure of green fluorescent protein (GFP)protein22811% helix, 51% strand—
BCrystal structure of green fluorescent protein (GFP)protein22511% helix, 52% strand—

Ligands and binding sites

  • I1C · {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 2 copies · chains A, B
  • ACT · Acetate ion · additive · 5 copies · chains A, B
  • GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11200.790.9726I1C
21010.770.9724I1C
33550.580.7646empty
43470.540.7549empty
5750.390.7914empty

Interfaces

1 interface between chains.

  • A–B · 646 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 6OGB · Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(3-I1Y), H148D; circular… · the same entry in another collection · chain A against A, TM-score 1.00

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