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Human liver receptor homolog-1 in complex with 9CHOP and a fragment of TIF2

Analyse Human liver receptor homolog-1 in complex with 9CHOP and a fragment of TIF2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JYE
Type
protein
Length
252 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclear receptor subfamily 5 group a member 2; Nuclear receptor coactivator 2
UniProt
O00482, Q15596
Ligands
VQY
Pockets
4 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 70% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclear receptor subfamily 5 group a member 2protein24270% helix, 2% strandO00482
CNuclear receptor coactivator 2protein1060% helix, 0% strandQ15596

Ligands and binding sites

  • VQY · 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate · ligand · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15000.840.9041VQY
21530.650.8623empty
3940.380.7615empty
4610.330.7613empty

Interfaces

1 interface between chains.

  • A–C · 553 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7JYE · Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 · the same entry in another collection · chain A against A, TM-score 1.00
  • O00482 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 5 group a member 2… · a predicted model of the same protein · chain A against A, TM-score 0.97

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