MolNFT v1 · #39127 · DNA

NMR structure of the iq-modified dodecamer CTCGGC[IQ]GCCATC

2HKC · 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3': “NMR structure of the iq-modified dodecamer CTCGGC[IQ]GCCATC”. Solution nmr, 1 ligand (GIQ). MolNFT v1 #39127 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2HKC
Type: DNA
Length: 24 nucleotides
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3'; 5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3'
Ligands: GIQ

Structure

solution nmr · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	5'-D(CPTPCPGPGPCPGPCPCPAPTPC)-3'	dna	12	—	—
B	5'-D(GPAPTPGPGPCPGPCPCPGPAPG)-3'	dna	12	—	—

Ligands and binding sites

GIQ · 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine · ligand · 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 · 555 Å² buried · 64 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

2HKC · NMR Structure of the IQ-modified Dodecamer CTCGGC[IQ]GCCATC · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 2HKC · PDBe 2HKC

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