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Crystal Structure of Bacteriophytochrome chromophore binding domain

Analyse Crystal Structure of Bacteriophytochrome chromophore binding domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2O9B
Type
protein
Length
315 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.15
Source
Deinococcus radiodurans
Molecule
Bacteriophytochrome
EC
2.7.13.3
UniProt
Q9RZA4
Ligands
LBV
Pockets
4 · best druggability 0.80

Structure

x-ray diffraction · resolution 2.15 · 1 distinct chain · 30% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriophytochrome (EC 2.7.13.3)protein31530% helix, 28% 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

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12870.800.9134LBV
2920.530.8425empty
31450.510.7930empty
4780.400.7715empty

Modifications

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

Compared structures

  • 2O9B · Crystal structure of bacteriophytochrome chromophore binding domain · 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 0.98

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