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MolNFT v1 · #7267 · DNA

Nicked decamer DNA with PEG6 tether, NMR, 30 structures

1G1N · 5'-D(P*GP*CP*GP*TP*T)-3': “Nicked decamer DNA with PEG6 tether, NMR, 30 structures”. Solution nmr, 1 ligand (PE6). MolNFT v1 #7267 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1G1N
Type
DNA
Length
20 nucleotides
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(P*GP*CP*GP*TP*T)-3'; 5'-D(*GP*TP*CP*GP*C)-3'; 5'-D(P*GP*CP*GP*AP*CP*AP*AP*CP*GP*C)-3'
Ligands
PE6

Structure

solution nmr · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-D(P*GP*CP*GP*TP*T)-3'dna5——
B5'-D(*GP*TP*CP*GP*C)-3'dna5——
C5'-D(P*GP*CP*GP*AP*CP*AP*AP*CP*GP*C)-3'dna10——

Ligands and binding sites

  • PE6 · Phosphoryl-hexaethylene glycol · ligand · 2 copies · chains A, C, B

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

Interfaces

3 interfaces between chains.

  • B–C · 315 Ų buried · 30 hydrogen bonds · nucleic-nucleic
  • A–C · 238 Ų buried · 27 hydrogen bonds · nucleic-nucleic
  • A–B · 43 Ų buried · 1 hydrogen bond · nucleic-nucleic

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 1G1N · Nicked decamer DNA with PEG6 tether, NMR, 30 structures · the same entry in another collection · chain A against A, TM-score 1.00

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