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MolNFT v1 · #22414 · DNA

Crystal structure of a DNA decamer containing a thymine- dimer

1T4I · 5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3': “Crystal structure of a DNA decamer containing a thymine- dimer”. X-ray diffraction, 1 pocket (best druggability 0.59). MolNFT v1 #22414 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1T4I
Type
DNA
Length
40 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3'; 5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3'
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3'dna10——
B, D5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3'dna10——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13770.590.7621empty

Interfaces

6 interfaces between chains.

  • A–B · 447 Ų buried · 60 hydrogen bonds · nucleic-nucleic
  • C–D · 431 Ų buried · 58 hydrogen bonds · nucleic-nucleic
  • B–D · 44 Ų buried · 1 hydrogen bond · nucleic-nucleic
  • B–C · 35 Ų buried · 0 hydrogen bonds · nucleic-nucleic
  • A–D · 21 Ų buried · 0 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1T4I · Crystal Structure of a DNA Decamer Containing a Thymine-dimer · the same entry in another collection · chain A against A, TM-score 1.00

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