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Structural and functional insights into the ligand binding domain of a non-duplicated rxr from the invertebrate chordate amphioxus

Analyse Structural and functional insights into the ligand binding domain of a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3EYB
Type
protein
Length
796 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclear hormone receptor rxr
UniProt
Q8MX78
Pockets
9 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DNuclear hormone receptor rxrprotein19966% helix, 1% strandQ8MX78

Pockets

9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14870.730.8263empty
21450.630.8625empty
31260.620.8621empty
42400.620.8130empty
51340.620.8624empty

Interfaces

4 interfaces between chains.

  • A–B · 1270 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 1255 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 670 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 659 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 3EYB · Structural and functional insights into the ligand binding domain of a non-duplicated RXR… · the same entry in another collection · chain A against A, TM-score 1.00

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