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Glucocorticoid receptor DNA binding domain - plau nf-kb response element complex

Analyse Glucocorticoid receptor DNA binding domain - plau nf-kb response element complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5E6A
Type
protein + DNA
Length
178 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucocorticoid receptor; DNA (5'-D(*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*GP*AP*T)- 3')…
UniProt
P04150
Ligands
ZN
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlucocorticoid receptorprotein7330% helix, 8% strandP04150
CDNA (5'-D(*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*GP*AP*T)- 3')dna16——
DDNA (5'-D(*AP*TP*CP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*G)- 3')dna16——

Ligands and binding sites

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

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
15900.680.7846empty
2990.370.7619empty

Interfaces

6 interfaces between chains.

  • C–D · 712 Ų buried · 77 hydrogen bonds · nucleic-nucleic
  • A–B · 576 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 351 Ų buried · 5 hydrogen bonds · protein-nucleic
  • C–B · 325 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–C · 278 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 5E6A · Glucocorticoid receptor DNA binding domain - PLAU NF-kB response element complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P04150 · AlphaFold monomer V2.0 prediction for glucocorticoid receptor (P04150) · a predicted model of the same protein · chain B against A, TM-score 0.96

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