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Padron on (fluorescent) abcis

Analyse Padron on (fluorescent) abcis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZUJ
Type
protein
Length
1,275 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fluorescent protein dronpa
UniProt
Q5TLG6
Ligands
GYC
Pockets
17 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 4% helix, 58% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, E, FFluorescent protein dronpaprotein2133% helix, 58% strandQ5TLG6
CFluorescent protein dronpaprotein2124% helix, 58% strandQ5TLG6
DFluorescent protein dronpaprotein2115% helix, 59% strandQ5TLG6

Ligands and binding sites

  • GYC · [(4Z)-2-[(1R)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid · ligand · 6 copies · chains A, B, C, D, E, F

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

Pockets

17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111260.830.84132empty
2730.750.9924GYC
3760.750.9825GYC
4750.740.9827GYC
5670.740.9827GYC

Interfaces

9 interfaces between chains.

  • E–F · 911 Ų buried · 21 hydrogen bonds · protein-protein
  • C–F · 888 Ų buried · 18 hydrogen bonds · protein-protein
  • D–E · 878 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 858 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 851 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 covalent (covalent ligand).

Compared structures

  • 3ZUJ · Padron on (fluorescent) ABcis · the same entry in another collection · chain A against A, TM-score 1.00

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