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Crystal structure of the phenol-responsive sensory domain of the transcription activator poxr with phenol

Analyse Crystal structure of the phenol-responsive sensory domain of the transcription… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5FRW
Type
protein
Length
399 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Positive phenol-degradative gene regulator
UniProt
O84957
Ligands
IPH, ZN
Pockets
3 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APositive phenol-degradative gene regulatorprotein20150% helix, 24% strandO84957
BPositive phenol-degradative gene regulatorprotein19849% helix, 24% strandO84957

Ligands and binding sites

  • IPH · Phenol · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1860.440.8018empty
2710.410.8013empty
3740.370.7714empty

Interfaces

1 interface between chains.

  • A–B · 2312 Ų buried · 37 hydrogen bonds · protein-protein

Compared structures

  • 5FRW · crystal structure of the phenol-responsive sensory domain of the transcription activator… · the same entry in another collection · chain A against A, TM-score 1.00

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