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The structure of the stigmatella aurantiaca phytochrome chromophore binding domain T289H mutant

Analyse The structure of the stigmatella aurantiaca phytochrome chromophore binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BAK
Type
protein
Length
303 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Photoreceptor-histidine kinase bphp
UniProt
Q097N3
Ligands
BLR
Pockets
4 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhotoreceptor-histidine kinase bphpprotein30334% helix, 28% strandQ097N3

Ligands and binding sites

  • BLR · 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12220.770.9132BLR
22920.590.7822empty
31160.430.7721empty
4580.370.7915empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 6BAK · The structure of the Stigmatella aurantiaca phytochrome chromophore binding domain T289H… · the same entry in another collection · chain A against A, TM-score 1.00

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