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Ancestral steroid receptor 1 in complex with estrogen response element DNA

Analyse Ancestral steroid receptor 1 in complex with estrogen response element DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4OLN
Type
protein + DNA
Length
175 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ANCSR1; 5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*GP*AP*GP*TP*GP*AP*CP*CP*TP*GP *a)-3'…
Ligands
ZN, NA
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 32% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AANCSR1protein7034% helix, 14% strand—
BANCSR1protein6730% helix, 12% strand—
E5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*GP*AP*GP*TP*GP*AP*CP*CP*TP*GP *a)-3'dna19——
F5'-D(*TP*CP*AP*GP*GP*TP*CP*AP*CP*TP*CP*TP*GP*AP*CP*CP*TP*GP *G)-3'dna19——

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • NA · Sodium ion · metal · chains A, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15950.690.7852empty
2810.320.7418empty

Interfaces

6 interfaces between chains.

  • E–F · 858 Ų buried · 81 hydrogen bonds · nucleic-nucleic
  • A–B · 426 Ų buried · 5 hydrogen bonds · protein-protein
  • B–E · 397 Ų buried · 10 hydrogen bonds · protein-nucleic
  • A–F · 363 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–E · 318 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 4OLN · Ancestral Steroid Receptor 1 in complex with estrogen response element DNA · the same entry in another collection · chain A against A, TM-score 1.00

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