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Crystal structure of yfir, a putative transcriptional regulator from bacillus subtilis

Analyse Crystal structure of yfir, a putative transcriptional regulator from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1RKT
Type
protein
Length
404 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein yfir
UniProt
O31560
Ligands
UNX
Pockets
3 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein yfirprotein20477% helix, 0% strandO31560
BProtein yfirprotein20080% helix, 0% strandO31560

Ligands and binding sites

  • UNX · Unknown atom or ion · ion · 39 copies · chains A, B

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
110710.860.8677UNX
21750.470.7625empty
3600.290.7415empty

Interfaces

1 interface between chains.

  • A–B · 1873 Ų buried · 32 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 1RKT · Crystal structure of yfiR, a putative transcriptional regulator from Bacillus subtilis · the same entry in another collection · chain A against A, TM-score 1.00
  • O31560 · AlphaFold monomer V2.0 prediction for uncharacterized hth-type transcriptional regulator… · a predicted model of the same protein · chain B against A, TM-score 0.99

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