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Flavin analogue sheds light on light-oxygen-voltage domain mechanism

Analyse Flavin analogue sheds light on light-oxygen-voltage domain mechanism in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6I25
Type
protein
Length
135 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
AUREOCHROME1-like protein
UniProt
C5NSW6
Ligands
5DD, 9O9, MG, CL
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAUREOCHROME1-like proteinprotein13539% helix, 30% strandC5NSW6

Ligands and binding sites

  • 5DD · [(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate · ligand · chains A
  • 9O9 · 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · chains A

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
12060.700.8729CL, 5DD, 9O9

Compared structures

  • 6I25 · Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism · the same entry in another collection · chain A against A, TM-score 1.00

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