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MolNFT v1 · #160281 · protein

RSEGFP2 with a chlorinated chromophore in the non-fluorescent off- state in a contracted unit cell

6PFU · Green fluorescent protein: “RSEGFP2 with a chlorinated chromophore in the non-fluorescent off- state in a contracted unit cell”. X-ray diffraction, 2 ligands (OHD, SO4), 1 pocket (best druggability 0.76). MolNFT v1 #160281 on…

PDB
6PFU
Type
protein
Length
228 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein
Ligands
OHD, SO4
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen fluorescent proteinprotein22813% helix, 52% strand—

Ligands and binding sites

  • OHD · {(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · 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
1930.760.9725OHD

Modifications

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

Compared structures

  • 6PFU · rsEGFP2 with a chlorinated chromophore in the non-fluorescent off-state in a contracted… · the same entry in another collection · chain A against A, TM-score 1.00

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