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MolNFT v1 · #171214 · protein

Structure of chloroflexus aggregans flavin based fluorescent protein (cagfbfp) Q148K variant with morpholine

6YX4 · Multi-sensor hybrid histidine kinase: “Structure of chloroflexus aggregans flavin based fluorescent protein (cagfbfp) Q148K variant with morpholine”. X-ray diffraction, 2 ligands (FMN, 6LR), 3 pockets (best druggability 0.75).…

PDB
6YX4
Type
protein
Length
206 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Multi-sensor hybrid histidine kinase
UniProt
B8GAY9
Ligands
FMN, 6LR
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMulti-sensor hybrid histidine kinaseprotein10326% helix, 37% strandB8GAY9

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
  • 6LR · morpholine · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12030.750.9031FMN, 6LR
21990.740.9031FMN, 6LR
31210.410.7624empty

Interfaces

1 interface between chains.

  • A–B · 765 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6YX4 · Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K… · the same entry in another collection · chain A against A, TM-score 1.00

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