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MolNFT v1 · #155429 · protein

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

6L79 · Phenol regulator mopr: “Crystal structure of the G148P mutant of aromatic sensor domain of mopr in complex with phenol”. X-ray diffraction, 2 ligands (IPH, ZN), 2 pockets (best druggability 0.55). MolNFT v1 #155429 on GenesisL1: 3D…

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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