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Crystal structure of the complex comprised of ETS1(V170G), RUNX1, cbfbeta, and the tcralpha gene enhancer DNA

Analyse Crystal structure of the complex comprised of ETS1(V170G), RUNX1, cbfbeta, and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3WTV
Type
protein + DNA
Length
774 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Runt-related transcription factor 1; Core-binding factor subunit beta; Protein C-ets-1…
UniProt
Q03347, Q08024, P14921
Pockets
11 · best druggability 0.62

Structure

x-ray diffraction · 7 distinct chains · 28% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, FRunt-related transcription factor 1protein1180% helix, 42% strandQ03347
BCore-binding factor subunit betaprotein13028% helix, 34% strandQ08024
CProtein C-ets-1protein11847% helix, 12% strandP14921
D, IDNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)- 3')dna15——
E, JDNA (5'-D(*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)- 3')dna15——
GCore-binding factor subunit betaprotein12924% helix, 36% strandQ08024
HProtein C-ets-1protein10141% helix, 6% strandP14921

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13760.620.7826empty
23200.590.7826empty
32900.590.7932empty
44550.570.7451empty
52310.540.7826empty

Interfaces

19 interfaces between chains.

  • A–B · 1197 Ų buried · 19 hydrogen bonds · protein-protein
  • F–G · 1104 Ų buried · 20 hydrogen bonds · protein-protein
  • I–J · 660 Ų buried · 52 hydrogen bonds · nucleic-nucleic
  • D–E · 652 Ų buried · 49 hydrogen bonds · nucleic-nucleic
  • C–D · 513 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 3WTV · Crystal structure of the complex comprised of ETS1(V170G), RUNX1, CBFBETA, and the… · the same entry in another collection · chain J against J, TM-score 1.00
  • Q03347 · AlphaFold monomer V2.0 prediction for runt-related transcription factor 1 (Q03347) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q08024 · AlphaFold monomer V2.0 prediction for core-binding factor subunit beta (Q08024) · a predicted model of the same protein · chain G against A, TM-score 0.98

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