GL1X · GenesisL1 explorer

MolNFT v1 · #12124 · protein + DNA

Ets-1(331-440)+GGAA duplex

1K79 · DNA (5'- D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*AP*AP*TP*GP*T)-3'): “Ets-1(331-440)+GGAA duplex”. X-ray diffraction, 4 pockets (best druggability 0.48). MolNFT v1 #12124 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1K79
Type
protein + DNA
Length
268 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*AP*AP*TP*GP*T)-3'); DNA (5'…
UniProt
P27577
Pockets
4 · best druggability 0.48

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, EDNA (5'- D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*AP*AP*TP*GP*T)-3')dna15——
C, FDNA (5'- D(*CP*AP*CP*AP*TP*TP*TP*CP*CP*GP*GP*CP*AP*CP*T)-3')dna15——
A, DC-ets-1 proteinprotein10442% helix, 13% strandP27577

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11390.480.7917empty
21050.480.8116empty
3690.390.7917empty
4650.290.7414empty

Interfaces

6 interfaces between chains.

  • E–F · 665 Ų buried · 56 hydrogen bonds · nucleic-nucleic
  • B–C · 623 Ų buried · 49 hydrogen bonds · nucleic-nucleic
  • C–A · 516 Ų buried · 10 hydrogen bonds · protein-nucleic
  • F–D · 495 Ų buried · 10 hydrogen bonds · protein-nucleic
  • E–D · 492 Ų buried · 11 hydrogen bonds · protein-nucleic

Compared structures

  • 1K79 · Ets-1(331-440)+GGAA duplex · the same entry in another collection · chain D against D, TM-score 1.00
  • P27577 · AlphaFold monomer V2.0 prediction for protein C-ets-1 (P27577) · a predicted model of the same protein · chain A against A, TM-score 0.98

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