GL1X · GenesisL1 explorer

MolNFT v1 · #30804 · protein

Mineralocorticoid receptor with bound progesterone

2AA5: “Mineralocorticoid receptor with bound progesterone”. X-ray diffraction, 1 ligand (STR), 8 pockets (best druggability 0.83). MolNFT v1 #30804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2AA5
Type
protein
Length
510 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mineralocorticoid receptor
UniProt
P08235
Ligands
STR
Pockets
8 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMineralocorticoid receptorprotein25567% helix, 5% strandP08235
BMineralocorticoid receptorprotein25569% helix, 5% strandP08235

Ligands and binding sites

  • STR · Progesterone · ligand · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11780.830.9723STR
21750.830.9723STR
31350.690.9022empty
41430.660.8721empty
5900.480.8120empty

Interfaces

1 interface between chains.

  • A–B · 558 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 2AA5 · Mineralocorticoid Receptor with Bound Progesterone · the same entry in another collection · chain A against A, TM-score 1.00
  • P08235 · AlphaFold monomer V2.0 prediction for mineralocorticoid receptor (P08235) · a predicted model of the same protein · chain B against A, TM-score 0.97

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