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MolNFT v1 · #59940 · protein

Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments

3CD1: “Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively…”. X-ray diffraction, 1 ligand (CRO), 1 pocket (best druggability 0.75). MolNFT v1 #59940 on GenesisL1: 3D structure, binding…

PDB
3CD1
Type
protein
Length
225 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein
UniProt
P42212
Ligands
CRO
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen fluorescent proteinprotein22512% helix, 52% 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

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1860.750.9825CRO

Modifications

Observed in the structure: 2 cofactor, 1 disulfide (chromophore, disulfide).

Compared structures

  • 3CD1 · Development of a family of redox-sensitive green fluorescent protein indicators for use… · 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 0.99

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