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Firefly luciferase in complex with bromoform

Analyse Firefly luciferase in complex with bromoform in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1BA3
Type
protein
Length
540 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Luciferase
EC
1.13.12.7
UniProt
P08659
Ligands
MBR
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALuciferase (EC 1.13.12.7)protein54032% helix, 24% strandP08659

Ligands and binding sites

  • MBR · Tribromomethane · ligand · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18290.740.7896MBR
2760.490.8414MBR
3610.430.8217empty
4760.360.7717empty
5750.330.7416empty

Compared structures

  • 1BA3 · Firefly luciferase in complex with bromoform · the same entry in another collection · chain A against A, TM-score 1.00
  • P08659 · AlphaFold monomer V2.0 prediction for luciferin 4-monooxygenase (P08659) · a predicted model of the same protein · chain A against A, TM-score 0.83

Analyse

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