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MolNFT v1 · #179847 · protein

The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor steroidogenic factor-1 (sf-1)

7KHT · Steroidogenic factor 1: “The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor steroidogenic…”. X-ray diffraction, 1 ligand (WES), 3 pockets (best druggability 0.83). MolNFT v1 #179847 on…

PDB
7KHT
Type
protein
Length
247 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Steroidogenic factor 1; Peroxisome proliferator-activated receptor gamma coactivator…
UniProt
Q13285, Q9UBK2
Ligands
WES
Pockets
3 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 71% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASteroidogenic factor 1protein23573% helix, 3% strandQ13285
BPeroxisome proliferator-activated receptor gamma coactivator 1-alpha peptideprotein1242% helix, 0% strandQ9UBK2

Ligands and binding sites

  • WES · (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy) phosphoryl]oxy}propane-1,2-diyl (9e,9'e)di-octadec-9-enoate · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15110.830.8837WES
21470.690.8925empty
3790.310.7320empty

Interfaces

1 interface between chains.

  • A–B · 469 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7KHT · The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q13285 · AlphaFold monomer V2.0 prediction for steroidogenic factor 1 (Q13285) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q9UBK2 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain B against A, TM-score 0.53

Analyse

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