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Deinococcus radiodurans bphp photosensory module

Analyse Deinococcus radiodurans bphp photosensory module in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4Q0J
Type
protein
Length
495 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriophytochrome
EC
2.7.13.3
UniProt
Q9RZA4
Ligands
LBV
Pockets
5 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriophytochrome (EC 2.7.13.3)protein49534% helix, 25% strandQ9RZA4

Ligands and binding sites

  • LBV · 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid · ligand · chains A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14010.820.9057LBV
21610.550.8031empty
3730.460.8220empty
4760.330.7519empty
5910.300.7114empty

Modifications

Observed in the structure: 1 cofactor (biliverdin attachment).

Compared structures

  • 4Q0J · Deinococcus radiodurans BphP photosensory module · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9RZA4 · AlphaFold monomer V2.0 prediction for bacteriophytochrome (Q9RZA4) · a predicted model of the same protein · chain A against A, TM-score 0.99

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