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Crystal structure of novel protein of unknown function (YP_111841.1) from BURKHOLDERIA PSEUDOMALLEI K96243 at 1.90 A resolution

Analyse Crystal structure of novel protein of unknown function (YP_111841.1) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FJV
Type
protein
Length
370 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.9
Source
Burkholderia pseudomallei K96243
Molecule
uncharacterized novel protein
UniProt
Q63J81
Ligands
CL
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · resolution 1.9 · 2 distinct chains · 45% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
Auncharacterized novel proteinprotein19344% helix, 22% strandQ63J81
Buncharacterized novel proteinprotein17746% helix, 24% strandQ63J81

Ligands and binding sites

  • CL · Chloride ion · ion · chains B
  • GOL · Glycerol · additive · 2 copies · chains B, A

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
17320.710.7762GOL
21160.430.7713GOL
3920.400.7819empty

Interfaces

1 interface between chains.

  • A–B · 1087 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

  • 3FJV · Crystal structure of novel protein of unknown function (YP_111841.1) from burkholderia… · the same entry in another collection · chain A against A, TM-score 1.00

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