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MolNFT v1 · #81707 · DNA

Crystal structure of S-6'-me-3'-fluoro hexitol nucleic acid

3V06 · DNA (5'-D(*GP*CP*GP*TP*AP*(F5H)P*AP*CP*GP*C)-3'): “Crystal structure of S-6'-me-3'-fluoro hexitol nucleic acid”. X-ray diffraction, 1 ligand (SR), 1 pocket (best druggability 0.25). MolNFT v1 #81707 on GenesisL1: 3D structure…

PDB
3V06
Type
DNA
Length
20 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*GP*CP*GP*TP*AP*(F5H)P*AP*CP*GP*C)-3')
Ligands
SR
Pockets
1 · best druggability 0.25

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*GP*CP*GP*TP*AP*(F5H)P*AP*CP*GP*C)-3')dna10——

Ligands and binding sites

  • SR · Strontium ion · metal

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
1670.250.7211SR

Interfaces

1 interface between chains.

  • A–B · 488 Ų buried · 39 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 3V06 · Crystal structure of S-6'-Me-3'-fluoro hexitol nucleic acid · the same entry in another collection · chain A against A, TM-score 1.00

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