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Human liver receptor homologue-1 (lrh-1) bound to a RJW100 stereoisomer and a fragment of tif-2

Analyse Human liver receptor homologue-1 (lrh-1) bound to a RJW100 stereoisomer and a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5SYZ
Type
protein
Length
248 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
71W
Pockets
4 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclear receptor subfamily 5 group a member 2protein23773% helix, 3% strandO00482
CNuclear receptor coactivator 2protein1173% helix, 0% strandQ15596

Ligands and binding sites

  • 71W · (1s,3ar,6ar)-5-hexyl-4-phenyl-3A-(1-phenylethenyl)-1,2, 3,3A,6,6A-hexahydropentalen-1-ol · 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
13790.850.933371W
21150.580.8421empty
3520.330.7813empty
4520.320.7814empty

Interfaces

1 interface between chains.

  • A–C · 579 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 5SYZ · Human Liver Receptor Homologue-1 (LRH-1) Bound to a RJW100 stereoisomer and a Fragment of… · 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 0.98

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