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Luciferin-regenerating enzyme solved by siras using xfel (refined against native data)

Analyse Luciferin-regenerating enzyme solved by siras using xfel (refined against… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5D9B
Type
protein
Length
307 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Luciferin regenerating enzyme
UniProt
Q95YI4
Ligands
MG
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALuciferin regenerating enzymeprotein3075% helix, 50% strandQ95YI4

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 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
11810.740.9133empty
22690.670.8330MPD

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