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Ancestral corticoid receptor in complex with cortisol

Analyse Ancestral corticoid receptor in complex with cortisol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2Q1V
Type
protein
Length
244 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anccr
Ligands
PDN
Pockets
4 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnccrprotein24469% helix, 5% strand—

Ligands and binding sites

  • PDN · 17,21-dihydroxypregna-1,4-diene-3,11,20-trione · ligand · chains A
  • GOL · Glycerol · additive · 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
11930.840.9824PDN
21540.640.8623empty
31220.480.7922empty
4720.310.7313empty

Compared structures

  • 2Q1V · Ancestral corticoid receptor in complex with cortisol · the same entry in another collection · chain A against A, TM-score 1.00

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