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Crystal structure of HSF2 DNA-binding domain in complex with 2-site hse DNA in the head-to-head orientation

Analyse Crystal structure of HSF2 DNA-binding domain in complex with 2-site hse DNA in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DCI
Type
protein + DNA
Length
105 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock factor protein 2; DNA (5'-D(*GP*GP*GP*AP*AP*TP*AP*TP*TP*CP*CP*C)-3')
UniProt
Q03933
Ligands
NA
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock factor protein 2protein9345% helix, 13% strandQ03933
BDNA (5'-D(*GP*GP*GP*AP*AP*TP*AP*TP*TP*CP*CP*C)-3')dna12——

Ligands and binding sites

  • NA · Sodium ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11830.440.7421empty

Interfaces

1 interface between chains.

  • A–B · 247 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 7DCI · Crystal structure of HSF2 DNA-binding domain in complex with 2-site HSE DNA in the… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q03933 · AlphaFold monomer V2.0 prediction for heat shock factor protein 2 (Q03933) · a predicted model of the same protein · chain A against A, TM-score 0.98

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