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Crystal structure of the arnb paralog VWA2 from sulfolobus acidocaldarius

Analyse Crystal structure of the arnb paralog VWA2 from sulfolobus acidocaldarius in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A8J
Type
protein
Length
365 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
VWA2
UniProt
Q4J9H5
Ligands
NA, CL, SO4
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVWA2protein36534% helix, 31% strandQ4J9H5

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · 4 copies · chains A
  • CIT · Citric acid · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11400.500.7921GOL
2510.330.7815empty

Compared structures

  • 5A8J · Crystal structure of the ArnB paralog VWA2 from Sulfolobus acidocaldarius · the same entry in another collection · chain A against A, TM-score 1.00

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