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One sugar pucker fits all: pairing versatility despite conformational uniformity in tna

Analyse One sugar pucker fits all: pairing versatility despite conformational… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1PWF
Type
DNA
Length
20 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*CP*GP*TP*AP*(2MU)P*(FA2)P*CP*GP*C)-3'
Ligands
SPM
Pockets
1 · best druggability 0.21

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*GP*CP*GP*TP*AP*(2MU)P*(FA2)P*CP*GP*C)-3'dna10——

Ligands and binding sites

  • SPM · Spermine · ligand · 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
1500.210.7112empty

Interfaces

1 interface between chains.

  • A–B · 485 Ų buried · 40 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 4 modified (nucleotide modification).

Compared structures

  • 1PWF · One Sugar Pucker Fits All: Pairing Versatility Despite Conformational Uniformity in TNA · the same entry in another collection · chain A against A, TM-score 1.00

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