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Structure of an RNA-binding light-oxygen-voltage receptor

Analyse Structure of an RNA-binding light-oxygen-voltage receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HMJ
Type
protein
Length
1,419 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative PAS/PAC sensor protein
UniProt
C8XJT7
Ligands
FMN
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 45% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative PAS/PAC sensor proteinprotein35947% helix, 23% strandC8XJT7
BPutative PAS/PAC sensor proteinprotein35244% helix, 23% strandC8XJT7
CPutative PAS/PAC sensor proteinprotein35547% helix, 23% strandC8XJT7
DPutative PAS/PAC sensor proteinprotein35344% helix, 23% strandC8XJT7

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
  • GOL · Glycerol · additive · 3 copies · chains A, B, C, D
  • EDO · 1,2-ethanediol · additive · 2 copies · chains C, D
  • IMD · Imidazole · additive · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11900.760.9124FMN
21910.750.9125FMN
31850.740.9025FMN
41660.740.9125FMN
55460.690.7956empty

Interfaces

4 interfaces between chains.

  • A–B · 3491 Ų buried · 31 hydrogen bonds · protein-protein
  • C–D · 3459 Ų buried · 31 hydrogen bonds · protein-protein
  • A–D · 698 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 666 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6HMJ · Structure of an RNA-binding Light-Oxygen-Voltage Receptor · the same entry in another collection · chain D against D, TM-score 1.00

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