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MolNFT v1 · #171220 · protein

Structure of chloroflexus aggregans flavin based fluorescent protein (cagfbfp) Q148R variant

6YXC · Multi-sensor hybrid histidine kinase: “Structure of chloroflexus aggregans flavin based fluorescent protein (cagfbfp) Q148R variant”. X-ray diffraction, 2 ligands (FMN, NA), 3 pockets (best druggability 0.77). MolNFT v1 #171220 on…

PDB
6YXC
Type
protein
Length
207 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, NA
Pockets
3 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMulti-sensor hybrid histidine kinaseprotein10426% helix, 38% strandB8GAY9
BMulti-sensor hybrid histidine kinaseprotein10327% helix, 38% strandB8GAY9

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 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
12080.770.9131FMN
22010.760.9131FMN
31130.400.7624empty

Interfaces

1 interface between chains.

  • A–B · 763 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6YXC · Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148R… · the same entry in another collection · chain A against A, TM-score 1.00

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