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MolNFT v1 · #27125 · protein

Crystal structure of yellow fluorescent protein ZFP538 K66M green mutant

1XA9 · Fluorescent protein FP538: “Crystal structure of yellow fluorescent protein ZFP538 K66M green mutant”. X-ray diffraction, 1 ligand (CH6), 1 pocket (best druggability 0.73). MolNFT v1 #27125 on GenesisL1: 3D structure, binding sites…

PDB
1XA9
Type
protein
Length
224 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fluorescent protein FP538
UniProt
Q9U6Y4
Ligands
CH6
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFluorescent protein FP538protein2244% helix, 56% strandQ9U6Y4

Ligands and binding sites

  • CH6 · {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A
  • BME · Beta-mercaptoethanol · additive · 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
1810.730.9728CH6

Modifications

Observed in the structure: 2 cofactor, 1 covalent (chromophore, additive adduct).

Compared structures

  • 1XA9 · Crystal structure of yellow fluorescent protein zFP538 K66M green mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9U6Y4 · AlphaFold monomer V2.0 prediction for GFP-like fluorescent chromoprotein FP538 (Q9U6Y4) · a predicted model of the same protein · chain A against A, TM-score 0.99

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