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Crystal structure of the oct-1 pou domain bound to an octamer site: DNA recognition with tethered DNA-binding modules

Analyse Crystal structure of the oct-1 pou domain bound to an octamer site: DNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1OCT
Type
protein + DNA
Length
161 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*TP*AP*AP*GP*G)-3'); DNA (5'…
UniProt
P14859
Pockets
4 · best druggability 0.40

Structure

x-ray diffraction · 3 distinct chains · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'- D(*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*TP*AP*AP*GP*G)-3')dna15——
BDNA (5'- D(*AP*CP*CP*TP*TP*AP*TP*TP*TP*GP*CP*AP*TP*AP*C)-3')dna15——
CProtein (oct-1 pou domain)protein13173% helix, 0% strandP14859

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1960.400.7714empty
2900.350.7513empty
3830.330.7512empty
4500.230.7212empty

Interfaces

3 interfaces between chains.

  • B–C · 892 Ų buried · 25 hydrogen bonds · protein-nucleic
  • A–C · 868 Ų buried · 21 hydrogen bonds · protein-nucleic
  • A–B · 638 Ų buried · 53 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1OCT · Crystal structure of the oct-1 pou domain bound to an octamer site: DNA recognition with… · 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 0.89

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