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Crystal structure of ligand-binding domain of estrogen- related receptor alpha (erralpha) in complex with the peroxisome proliferators-activated receptor coactivator- 1ALPHA BOX3 peptide (pgc-1ALPHA)

Analyse Crystal structure of ligand-binding domain of estrogen- related receptor alpha… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3D24
Type
protein
Length
452 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Steroid hormone receptor ERR1; Peroxisome proliferator-activated receptor gamma…
UniProt
P11474, Q9UBK2
Pockets
5 · best druggability 0.70

Structure

x-ray diffraction · 4 distinct chains · 66% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASteroid hormone receptor ERR1protein20967% helix, 4% strandP11474
BPeroxisome proliferator-activated receptor gamma coactivator 1-alphaprotein1354% helix, 0% strandQ9UBK2
CSteroid hormone receptor ERR1protein21667% helix, 4% strandP11474
DPeroxisome proliferator-activated receptor gamma coactivator 1-alphaprotein1450% helix, 0% strandQ9UBK2

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16140.700.7864empty
21520.620.8520empty
31730.600.8322empty
41630.590.8323empty
51900.550.7921empty

Interfaces

3 interfaces between chains.

  • A–C · 1351 Ų buried · 26 hydrogen bonds · protein-protein
  • C–D · 702 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 564 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 3D24 · Crystal structure of ligand-binding domain of estrogen-related receptor alpha (ERRalpha)… · the same entry in another collection · chain D against D, TM-score 1.00
  • P11474 · AlphaFold monomer V2.0 prediction for steroid hormone receptor ERR1 (P11474) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q9UBK2 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain D against A, TM-score 0.56

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