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Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal structure of human FAM83B in complex with FMOPL000551A

Analyse Pandda analysis group deposition of models with modelled events (E.G. bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5QHL
Type
protein
Length
338 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein FAM83B
UniProt
Q5T0W9
Ligands
GQ7, IOD
Pockets
3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtein FAM83Bprotein16933% helix, 33% strandQ5T0W9

Ligands and binding sites

  • GQ7 · [5-(4-aminophenyl)furan-2-yl]methanol · ligand · 2 copies · chains A, B
  • IOD · Iodide ion · ion · 4 copies · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11900.570.8031empty
2620.460.8314GQ7
3590.430.8214GQ7

Interfaces

1 interface between chains.

  • A–B · 1449 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 5QHL · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5T0W9 · AlphaFold monomer V2.0 prediction for protein FAM83B (Q5T0W9) · a predicted model of the same protein · chain A against A, TM-score 0.98

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