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MolNFT v2 · #219196 · protein

Crystal Structure of the flavoprotein monooxygenase TrlE from Streptomyces cyaneofuscatus Soc7

8RQH · Tropone 2-monooxygenase: “Crystal Structure of the flavoprotein monooxygenase TrlE from Streptomyces cyaneofuscatus Soc7”. X-ray diffraction at 2.5, 3 ligands (FAD, SO4, CL), 1 pocket (best druggability 0.91). MolNFT v2 #219196 on…

PDB
8RQH
Type
protein
Length
763 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.5
Source
Streptomyces cyaneofuscatus
Molecule
Tropone 2-monooxygenase
UniProt
A0A2S1JZI9
Ligands
FAD, SO4, CL
Pockets
1 · best druggability 0.91

Structure

x-ray diffraction · resolution 2.5 · 2 distinct chains · 40% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATropone 2-monooxygenaseprotein38141% helix, 25% strandA0A2S1JZI9
BTropone 2-monooxygenaseprotein38240% helix, 25% strandA0A2S1JZI9

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19850.910.93141FAD, CL

Interfaces

1 interface between chains.

  • A–B · 959 Ų buried · 5 hydrogen bonds · protein-protein

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