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Crystal structures reveal signaling states of a short blue light photoreceptor protein PPSB1-lov (dark state)

Analyse Crystal structures reveal signaling states of a short blue light photoreceptor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5J3W
Type
protein
Length
535 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sensory box protein
UniProt
Q88E39
Ligands
FMN
Pockets
5 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASensory box proteinprotein13338% helix, 35% strandQ88E39
B, C, DSensory box proteinprotein13437% helix, 35% strandQ88E39

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110710.840.85102empty
22310.770.9029FMN
33480.750.8640FMN
42050.740.9030FMN
52550.680.8437FMN

Interfaces

5 interfaces between chains.

  • B–D · 1588 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 1476 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 454 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 251 Ų buried · 3 hydrogen bonds · protein-protein
  • A–B · 122 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5J3W · Crystal structures reveal signaling states of a short blue light photoreceptor protein… · the same entry in another collection · chain A against A, TM-score 1.00

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