5WYS: Luciferase with inhibitor 3i

luciferase with inhibitor 3i. Determined by X-ray diffraction at 3.0 Å resolution. Released 27 Dec 2017.

Method
X-ray diffraction
Resolution
3.0 Å
Organism
Photinus pyralis
Chains
1
Atoms
4,226
Mol. weight
61.1 kDa
Ligands
7V6
Released
27 Dec 2017

Explore 5WYS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5WYS contains 25 α-helices and 34 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 25 helices, 34 β-strands

ElementResiduesLengthSheet
β-strand8-921
α-helix16-172
α-helix22-3413
β-strand40-4452
β-strand50-5232
α-helix53-7018
β-strand77-8263
α-helix89-9810
β-strand101-10663
α-helix111-12111
β-strand125-12843
α-helix130-1323
α-helix133-1408
β-strand148-15143
β-strand16313
α-helix164-1696
α-helix183-1853
β-strand192-19653
β-strand208-21143
α-helix212-22312
β-strand236-23942
α-helix247-25812
β-strand261-26442
α-helix270-27910
β-strand284-28632
α-helix289-2968
α-helix301-3033
β-strand311-31332
α-helix321-33010
β-strand33712
β-strand339-34134
α-helix343-3453
β-strand348-35144
α-helix352-3532
β-strand36311
β-strand364-36524
α-helix3661
β-strand370-37451
β-strand38111
β-strand388-39361
β-strand400-40123
α-helix405-4084
β-strand40911
β-strand412-41321
β-strand417-426101
β-strand432-43541
α-helix437-4393
β-strand442-44545
β-strand447-44935
α-helix451-46010
β-strand464-474115
β-strand478-487105
α-helix495-5028
β-strand515-51845
α-helix522-5232
β-strand524-52526
β-strand529-53026
α-helix5311
α-helix532-54211

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Luciferin 4-monooxygenaseAprotein550Photinus pyralisP08659 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>5WYS_1 Luciferin 4-monooxygenase (chains A)
MEDAKNIKKGPAPFYPLEDGTAGEQLHKAMKRYALVPGTIAFTDAHIEVNITYAEYFEMS
VRLAEAMKRYGLNTNHRIVVCSENSLQFFMPVLGALFIGVAVAPANDIYNERELLNSMNI
SQPTVVFVSKKGLQKILNVQKKLPIIQKIIIMDSKTDYQGFQSMYTFVTSHLPPGFNEYD
FVPESFDRDKTIALIMNSSGSTGLPKGVALPHRTACVRFSHARDPIFGNQIIPDTAILSV
VPFHHGFGMFTTLGYLICGFRVVLMYRFEEELFLRSLQDYKIQSALLVPTLFSFFAKSTL
IDKYDLSNLHEIASGGAPLSKEVGEAVAKRFHLPGIRQGYGLTETTSAILITPEGDDKPG
AVGKVVPFFEAKVVDLDTGKTLGVNQRGELCVRGPMIMSGYVNNPEATNALIDKDGWLHS
GDIAYWDEDEHFFIVDRLKSLIKYKGYQVAPAELESILLQHPNIFDAGVAGLPDDDAGEL
PAAVVVLEHGKTMTEKEIVDYVASQVTTAKKLRGGVVFVDEVPKGLTGKLDARKIREILI
KAKKGGKSKL

Ligands and cofactors

IDNameFormulaCopies
7V65-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acidC16 H17 B O41

Primary citation

Inhibiting Firefly Bioluminescence by Chalcones. Zhang, H., Su, J., Lin, Y. et al. Anal Chem (2017) 89:6099-6105. DOI 10.1021/acs.analchem.7b00813 · PubMed

Other PDB entries of the same protein (UniProt P08659 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

About this viewer

MolViewer shows 5WYS directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.