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Crystal structure of the G148P mutant of aromatic sensor domain of mopr in complex with phenol

Analyse Crystal structure of the G148P mutant of aromatic sensor domain of mopr in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6L79
Type
protein
Length
195 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phenol regulator mopr
UniProt
Q43965
Ligands
IPH, ZN
Pockets
2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhenol regulator moprprotein19549% helix, 23% strandQ43965

Ligands and binding sites

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12000.550.7927empty
22730.550.7633empty

Compared structures

  • Q43965 · AlphaFold monomer V2.0 prediction for phenol regulator mopr (Q43965) · a predicted model of the same protein · chain A against A, TM-score 0.96

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