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MolNFT v1 · #9744 · DNA

Solution structure of 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ethanol intercalated in the DNA duplex D(CGATCG)2

1I5V · 5'-D(*CP*GP*AP*TP*CP*G)-3': “Solution structure of 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ethanol intercalated in the DNA duplex D(CGATCG)2”. Solution nmr, 1 ligand (PPZ). MolNFT v1 #9744 on GenesisL1: 3D structure, binding sites and…

PDB
1I5V
Type
DNA
Length
12 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*GP*AP*TP*CP*G)-3'
Ligands
PPZ

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*CP*GP*AP*TP*CP*G)-3'dna6——

Ligands and binding sites

  • PPZ · 2-(pyrido[1,2-e]purin-4-yl)amino-ethanol · ligand · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 281 Ų buried · 28 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1I5V · Solution structure of 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ethanol intercalated in the DNA… · the same entry in another collection · chain A against A, TM-score 1.00

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