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Crystal structure of a ternary complex of fbf-2 with lst-1 (site B) and compact fbe RNA

Analyse Crystal structure of a ternary complex of fbf-2 with lst-1 (site B) and compact… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PUN
Type
protein + RNA
Length
830 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fem-3 mRNA-binding factor 2; RNA (5'-R(*CP*UP*GP*UP*GP*AP*AP*U)-3'); Lst-1
UniProt
Q09312, Q86RT0
Ligands
NA
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 6 distinct chains · 69% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFem-3 mRNA-binding factor 2protein39672% helix, 2% strandQ09312
BRNA (5'-R(*CP*UP*GP*UP*GP*AP*AP*U)-3')rna8——
CFem-3 mRNA-binding factor 2protein38872% helix, 1% strandQ09312
DRNA (5'-R(*CP*UP*GP*UP*GP*AP*AP*U)-3')rna7——
ELst-1protein150% helix, 13% strandQ86RT0
FLst-1protein160% helix, 13% strandQ86RT0

Ligands and binding sites

  • NA · Sodium ion · metal · chains A, B
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A
  • GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111940.730.77109empty
2990.370.7525empty
3730.300.7419EDO
4530.290.7512empty

Interfaces

10 interfaces between chains.

  • A–B · 1310 Ų buried · 45 hydrogen bonds · protein-nucleic
  • C–D · 1308 Ų buried · 49 hydrogen bonds · protein-nucleic
  • A–E · 880 Ų buried · 13 hydrogen bonds · protein-protein
  • C–F · 860 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 833 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6PUN · Crystal structure of a ternary complex of FBF-2 with LST-1 (site B) and compact FBE RNA · the same entry in another collection · chain F against F, TM-score 1.00
  • Q09312 · AlphaFold monomer V2.0 prediction for fem-3 mRNA-binding factor 2 (Q09312) · a predicted model of the same protein · chain A against A, TM-score 0.98

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