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Crystal structure of the laci family member, purr, bound to DNA: minor groove binding by alpha helices

Analyse Crystal structure of the laci family member, purr, bound to DNA: minor groove… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2PUB
Type
protein + DNA
Length
355 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*TP*AP*CP*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*CP*GP*T )-3'); Purine repressor
UniProt
P0ACP7
Ligands
ADE
Pockets
3 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA (5'- D(*TP*AP*CP*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*CP*GP*T )-3')dna17——
APurine repressorprotein33845% helix, 15% strandP0ACP7

Ligands and binding sites

  • ADE · Adenine · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11490.620.8433ADE
21810.440.7431empty
31700.420.7318empty

Interfaces

1 interface between chains.

  • B–A · 501 Ų buried · 12 hydrogen bonds · protein-nucleic

Compared structures

  • 2PUB · Crystal structure of the laci family member, purr, bound to DNA: minor groove binding by… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0ACP7 · AlphaFold monomer V2.0 prediction for hth-type transcriptional repressor purr (P0ACP7) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

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