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MolNFT v1 · #3825 · DNA

The structure of a B-DNA decamer with a central T-a step: C- G-a-T-T-a-a-T-C-G

1D49 · DNA (5'-D(*CP*GP*AP*TP*TP*AP*AP*TP*CP*G)-3'): “The structure of a B-DNA decamer with a central T-a step: C- G-a-T-T-a-a-T-C-G”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.25). MolNFT v1 #3825 on GenesisL1: 3D…

PDB
1D49
Type
DNA
Length
20 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*GP*AP*TP*TP*AP*AP*TP*CP*G)-3')
Ligands
MG
Pockets
1 · best druggability 0.25

Structure

x-ray diffraction · 1 distinct chain.

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

Ligands and binding sites

  • MG · Magnesium ion · metal · 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
1590.250.7215MG

Interfaces

1 interface between chains.

  • A–B · 466 Ų buried · 46 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1D49 · The structure of a B-DNA decamer with a central T-a step: C-G-a-T-T-a-a-T-C-G · the same entry in another collection · chain A against A, TM-score 1.00

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