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Fluorogen activating protein DIB1

Analyse Fluorogen activating protein DIB1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UBO
Type
protein
Length
318 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane lipoprotein blc
UniProt
P0A901
Ligands
Q3J, P4K
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BOuter membrane lipoprotein blcprotein15914% helix, 42% strandP0A901

Ligands and binding sites

  • Q3J · 12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3, 7}]trideca-1(13),3,7,9,11-pentaen-6-one · ligand · 2 copies · chains A, B
  • P4K · polyethylene glycol · ligand · 2 copies · chains A, B
  • CIT · Citric acid · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12300.740.8933Q3J
21900.730.8929Q3J

Interfaces

1 interface between chains.

  • A–B · 1141 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6UBO · Fluorogen Activating Protein Dib1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A901 · AlphaFold monomer V2.0 prediction for outer membrane lipoprotein blc (P0A901) · a predicted model of the same protein · chain B against A, TM-score 0.96

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