GL1X · GenesisL1 explorer

MolNFT v1 · #4958 · protein + DNA

Crystal structure of oct-1 pou dimer bound to more

1E3O · 5'-D(*AP*TP*GP*CP*AP*TP*GP*AP*GP*GP*A)-3': “Crystal structure of oct-1 pou dimer bound to more”. X-ray diffraction, 2 pockets (best druggability 0.70). MolNFT v1 #4958 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1E3O
Type
protein + DNA
Length
154 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*AP*TP*GP*CP*AP*TP*GP*AP*GP*GP*A)-3'; 5'-D(*TP*CP*CP*TP*CP*AP*TP*GP*CP*AP*T)-3'…
UniProt
P14859
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-D(*AP*TP*GP*CP*AP*TP*GP*AP*GP*GP*A)-3'dna11——
B5'-D(*TP*CP*CP*TP*CP*AP*TP*GP*CP*AP*T)-3'dna11——
COctamer-binding transcription factor 1protein13272% helix, 0% strandP14859

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11450.700.9030empty
2500.250.749empty

Interfaces

3 interfaces between chains.

  • B–C · 793 Ų buried · 21 hydrogen bonds · protein-nucleic
  • A–C · 571 Ų buried · 13 hydrogen bonds · protein-nucleic
  • A–B · 505 Ų buried · 50 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1E3O · Crystal structure of Oct-1 POU dimer bound to MORE · the same entry in another collection · chain A against A, TM-score 1.00
  • P14859 · AlphaFold monomer V2.0 prediction for pou domain, class 2, transcription factor 1 (P14859) · a predicted model of the same protein · chain C against A, TM-score 0.57

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