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Crystal structure of activating signal cointegrator (NP_814290.1) from enterococcus faecalis V583 at 1.58 a resolution

Analyse Crystal structure of activating signal cointegrator (NP_814290.1) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IUW
Type
protein
Length
159 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Activating signal cointegrator
UniProt
Q8KUB7
Ligands
SO4
Pockets
2 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActivating signal cointegratorprotein7910% helix, 54% strandQ8KUB7
BActivating signal cointegratorprotein8010% helix, 54% strandQ8KUB7

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • CAC · Cacodylate ion · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1760.420.7916empty
2750.360.7613CAC

Interfaces

1 interface between chains.

  • A–B · 931 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3IUW · Crystal structure of Activating signal cointegrator (NP_814290.1) from ENTEROCOCCUS… · the same entry in another collection · chain A against A, TM-score 1.00

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