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N-terminal dimerization domain of H-ns in complex with hha (salmonella typhimurium)

Analyse N-terminal dimerization domain of H-ns in complex with hha (salmonella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ICG
Type
protein
Length
223 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-binding protein H-ns; Hemolysin expression modulating protein (involved in…
UniProt
P0A1S2, Q7CR17
Pockets
4 · best druggability 0.50

Structure

x-ray diffraction · 3 distinct chains · 64% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, ADNA-binding protein H-nsprotein4480% helix, 0% strandP0A1S2
CHemolysin expression modulating protein (involved in environmental regulation of virulence factors)protein6761% helix, 0% strandQ7CR17
DHemolysin expression modulating protein (involved in environmental regulation of virulence factors)protein6857% helix, 0% strandQ7CR17

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.500.8618empty
2860.500.8222empty
31250.450.7829empty
4600.350.7712empty

Interfaces

5 interfaces between chains.

  • B–A · 1726 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 387 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 363 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 336 Ų buried · 4 hydrogen bonds · protein-protein
  • C–A · 301 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 4ICG · N-terminal dimerization domain of H-NS in complex with Hha (Salmonella Typhimurium) · the same entry in another collection · chain B against B, TM-score 1.00
  • Q7CR17 · AlphaFold monomer V2.0 prediction for hemolysin expression-modulating protein hha (Q7CR17) · a predicted model of the same protein · chain C against A, TM-score 0.95
  • P0A1S2 · AlphaFold monomer V2.0 prediction for DNA-binding protein H-ns (P0A1S2) · a predicted model of the same protein · chain B against A, TM-score 0.88

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