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Structural and biochemical mechanisms for the specificity of hormone binding and coactivator assembly by mineralocorticoid receptor

Analyse Structural and biochemical mechanisms for the specificity of hormone binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2A3I
Type
protein
Length
265 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mineralocorticoid receptor; Nuclear receptor coactivator 1, residues 1430-1441
EC
2.3.1.48
UniProt
P08235, Q15788
Ligands
C0R
Pockets
3 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMineralocorticoid receptorprotein25368% helix, 5% strandP08235
BNuclear receptor coactivator 1, residues 1430-1441 (EC 2.3.1.48)protein1258% helix, 0% strandQ15788

Ligands and binding sites

  • C0R · Corticosterone · 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
11680.830.9823C0R
21270.680.8924empty
3970.470.8121empty

Interfaces

1 interface between chains.

  • A–B · 538 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 2A3I · Structural and Biochemical Mechanisms for the Specificity of Hormone Binding and… · 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 A against A, TM-score 0.97

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