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Auto-inhibited erg ets domain-DNA complex

Analyse Auto-inhibited erg ets domain-DNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IRI
Type
protein + DNA
Length
118 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator erg; DNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*G)-3'); DNA…
UniProt
P11308
Pockets
2 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator ergprotein9448% helix, 15% strandP11308
BDNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*G)-3')dna12——
CDNA (5'-D(*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*C)-3')dna12——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11650.520.7917empty
2670.360.7816empty

Interfaces

3 interfaces between chains.

  • B–C · 540 Ų buried · 56 hydrogen bonds · nucleic-nucleic
  • A–C · 506 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–B · 462 Ų buried · 12 hydrogen bonds · protein-nucleic

Compared structures

  • 4IRI · Auto-inhibited ERG Ets Domain-DNA Complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P11308 · AlphaFold monomer V2.0 prediction for transcriptional regulator erg (P11308) · a predicted model of the same protein · chain A against A, TM-score 0.98

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