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MolNFT v1 · #46364 · protein

Spectroscopic and structural study of the heterotropic linkage between halide and proton ion binding to GFP proteins: E2(GFP)-br complex

2O29 · Green fluorescent protein: “Spectroscopic and structural study of the heterotropic linkage between halide and proton ion binding to GFP…”. X-ray diffraction, 2 ligands (CRO, BR), 2 pockets (best druggability 0.73). MolNFT v1 #46364…

PDB
2O29
Type
protein
Length
233 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein
UniProt
P42212
Ligands
CRO, BR
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen fluorescent proteinprotein23312% helix, 51% strandP42212

Ligands and binding sites

  • CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A
  • BR · Bromide ion · ion · 4 copies · 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
1610.730.9820CRO, BR
2860.360.7616empty

Modifications

Observed in the structure: 2 cofactor (chromophore).

Compared structures

  • 2O29 · Spectroscopic and Structural Study of the Heterotropic Linkage between Halide and Proton… · 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 0.96

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