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Crystal structure of the engineered fluorescent protein mruby, crystal form 2

Analyse Crystal structure of the engineered fluorescent protein mruby, crystal form 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3U0N
Type
protein
Length
221 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mruby
Ligands
NRQ, SO4
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMrubyprotein2215% helix, 56% strand—

Ligands and binding sites

  • NRQ · {(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio) propanimidoyl]-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
1940.760.9830NRQ

Modifications

Observed in the structure: 2 cofactor (chromophore).

Compared structures

  • 3U0N · Crystal structure of the engineered fluorescent protein mRuby, crystal form 2 · the same entry in another collection · chain A against A, TM-score 1.00

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