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Solution NMR structure of the human ETS1/DNA complex, 25 structures

Analyse Solution NMR structure of the human ETS1/DNA complex, 25 structures in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2STT
Type
protein + DNA
Length
130 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*TP*CP*GP*AP*GP*CP*CP*GP*GP*AP*AP*GP*TP*TP*CP*GP*A)-3'); DNA (5'…
UniProt
P14921
Pockets
5 · best druggability 0.69

Structure

solution nmr · 3 distinct chains · 36% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA (5'- D(*TP*CP*GP*AP*GP*CP*CP*GP*GP*AP*AP*GP*TP*TP*CP*GP*A)-3')dna17——
CDNA (5'- D(*TP*CP*GP*AP*AP*CP*TP*TP*CP*CP*GP*GP*CP*TP*CP*GP*A)-3')dna17——
AETS1protein9636% helix, 11% strandP14921

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1510.690.9618empty
23060.510.7423empty
3890.430.7917empty
4670.290.7415empty
5630.260.7211empty

Interfaces

3 interfaces between chains.

  • B–C · 773 Ų buried · 66 hydrogen bonds · nucleic-nucleic
  • B–A · 456 Ų buried · 7 hydrogen bonds · protein-nucleic
  • C–A · 450 Ų buried · 5 hydrogen bonds · protein-nucleic

Compared structures

  • 2STT · Solution NMR structure of the human ETS1/DNA complex, 25 structures · the same entry in another collection · chain B against B, TM-score 1.00
  • P14921 · AlphaFold monomer V2.0 prediction for protein C-ets-1 (P14921) · a predicted model of the same protein · chain A against A, TM-score 0.68

Analyse

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