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MolNFT v1 · #29705 · protein

Structural and biochemical basis for selective repression of the orphan nuclear receptor lrh-1 by shp

1ZGY · Peroxisome proliferator activated receptor gamma: “Structural and biochemical basis for selective repression of the orphan nuclear receptor lrh-1 by shp”. X-ray diffraction, 1 ligand (BRL), 2 pockets (best druggability 0.83). MolNFT…

PDB
1ZGY
Type
protein
Length
284 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxisome proliferator activated receptor gamma; Nuclear receptor subfamily 0, group B…
UniProt
P37231, P97947
Ligands
BRL
Pockets
2 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeroxisome proliferator activated receptor gammaprotein27262% helix, 5% strandP37231
BNuclear receptor subfamily 0, group B, member 2protein1258% helix, 0% strandP97947

Ligands and binding sites

  • BRL · 2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9CL) · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16740.830.8768BRL
2970.430.7817empty

Interfaces

1 interface between chains.

  • A–B · 574 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 1ZGY · Structural and Biochemical Basis for Selective Repression of the Orphan Nuclear Receptor… · the same entry in another collection · chain A against A, TM-score 1.00
  • P97947 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 0 group B member 2… · a predicted model of the same protein · chain B against A, TM-score 0.63

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