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MolNFT v1 · #38886 · protein

Structure of S65T Y66F GFP variant after cyclization, carbon-carbon bond cleavage, and oxygen incorporation reactions

2HCG · Green fluorescent protein: “Structure of S65T Y66F GFP variant after cyclization, carbon-carbon bond cleavage, and oxygen incorporation…”. X-ray diffraction, 2 ligands (C99, MG), 1 pocket (best druggability 0.73). MolNFT v1 #38886…

PDB
2HCG
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
C99, MG
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen fluorescent proteinprotein23314% helix, 50% strandP42212

Ligands and binding sites

  • C99 · {(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4, 5-dioxoimidazolidin-1-yl}acetic acid · ligand · chains A
  • MG · Magnesium ion · metal · 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
1610.730.9822C99

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 2HCG · Structure of S65T Y66F GFP variant after cyclization, carbon-carbon bond cleavage, and… · 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 0.98

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