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Crystal structure of the ETS1 dimer DNA complex.

Analyse Crystal structure of the ETS1 dimer DNA complex. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2NNY
Type
protein + DNA
Length
302 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*T*AP*GP*AP*CP*AP*GP*GP*AP*AP*GP*CP*AP*CP*TP*TP*CP*CP* TP*GP*GP*AP*G)-3'…
UniProt
P14921
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C5'-D(*T*AP*GP*AP*CP*AP*GP*GP*AP*AP*GP*CP*AP*CP*TP*TP*CP*CP* TP*GP*GP*AP*G)-3'dna22——
D5'-D(*A*CP*TP*CP*CP*AP*GP*GP*AP*AP*GP*TP*GP*CP*TP*TP*CP*CP* TP*GP*TP*CP*T)-3'dna22——
A, BC-ets-1 proteinprotein12944% helix, 9% strandP14921

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14900.720.8238empty
2600.290.7416empty
3500.260.7414empty
4560.240.7214empty

Interfaces

6 interfaces between chains.

  • C–D · 941 Ų buried · 84 hydrogen bonds · nucleic-nucleic
  • C–B · 550 Ų buried · 8 hydrogen bonds · protein-nucleic
  • D–A · 536 Ų buried · 7 hydrogen bonds · protein-nucleic
  • D–B · 437 Ų buried · 11 hydrogen bonds · protein-nucleic
  • C–A · 429 Ų buried · 12 hydrogen bonds · protein-nucleic

Compared structures

  • 2NNY · Crystal structure of the Ets1 dimer DNA complex. · the same entry in another collection · chain C against C, TM-score 1.00
  • P14921 · AlphaFold monomer V2.0 prediction for protein C-ets-1 (P14921) · a predicted model of the same protein · chain B against A, TM-score 0.93

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