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MolNFT v1 · #5203 · protein

The RUNX1 runt domain at 1.4A resolution: a structural switch and specifically bound chloride ions modulate DNA binding

1EAO · Runt-related transcription factor 1: “The RUNX1 runt domain at 1.4A resolution: a structural switch and specifically bound chloride ions modulate…”. X-ray diffraction, 1 ligand (BR), 1 pocket (best druggability 0.34). MolNFT v1…

PDB
1EAO
Type
protein
Length
248 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Runt-related transcription factor 1
UniProt
Q03347
Ligands
BR
Pockets
1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRunt-related transcription factor 1protein1246% helix, 41% strandQ03347

Ligands and binding sites

  • BR · Bromide ion · ion · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1710.340.7618BR

Interfaces

1 interface between chains.

  • A–B · 257 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 1EAO · THE RUNX1 Runt domain at 1.4A resolution: a structural switch and specifically bound… · the same entry in another collection · chain B against B, 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 0.92

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