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MolNFT v1 · #119297 · protein

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

5FRU · Positive phenol-degradative gene regulator: “Crystal structure of the phenol-responsive sensory domain of the transcription activator poxr”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.43). MolNFT v1 #119297 on…

PDB
5FRU
Type
protein
Length
390 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Positive phenol-degradative gene regulator
UniProt
O84957
Ligands
ZN
Pockets
3 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPositive phenol-degradative gene regulatorprotein19550% helix, 25% strandO84957

Ligands and binding sites

  • 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
1640.430.8117empty
2920.360.7522empty
3880.330.7416empty

Interfaces

1 interface between chains.

  • A–B · 2242 Ų buried · 38 hydrogen bonds · protein-protein

Compared structures

  • 5FRU · 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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