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Structure of the cooa pilin subunit from enterotoxigenic escherichia COLI

Analyse Structure of the cooa pilin subunit from enterotoxigenic escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4HJI
Type
protein
Length
307 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CS1 fimbrial subunit a
UniProt
P0ABW7
Ligands
NA
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACS1 fimbrial subunit aprotein1545% helix, 54% strandP0ABW7
BCS1 fimbrial subunit aprotein1535% helix, 54% strandP0ABW7

Ligands and binding sites

  • NA · Sodium ion · metal · chains B
  • IMD · Imidazole · 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
12230.500.7526empty
21890.480.7625empty

Interfaces

1 interface between chains.

  • A–B · 601 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 4HJI · Structure of the CooA pilin subunit from enterotoxigenic Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
  • P0ABW7 · AlphaFold monomer V2.0 prediction for CS1 fimbrial subunit a (P0ABW7) · a predicted model of the same protein · chain B against A, TM-score 0.86

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