MolNFT v1 · #13528 · DNA

NMR structure of a 1:1 complex of polyamide (im-py-beta-im-beta-im-py- beta-dp) with the tridecamer DNA duplex 5'-ccaaagagaagcg-3'

1LEJ · 5'-D(*CP*CP*AP*AP*AP*GP*AP*GP*AP*AP*GP*CP*G)-3': “NMR structure of a 1:1 complex of polyamide (im-py-beta-im-beta-im-py- beta-dp) with the tridecamer DNA…”. Solution nmr, 1 ligand (P11). MolNFT v1 #13528 on GenesisL1: 3D structure…

PDB: 1LEJ
Type: DNA
Length: 26 nucleotides
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5'-D(*CP*CP*AP*AP*AP*GP*AP*GP*AP*AP*GP*CP*G)-3'…
Ligands: P11

Structure

solution nmr · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	5'-D(CPCPAPAPAPGPAPGPAPAPGPCP*G)-3'	dna	13	—	—
B	5'-D(CPGPCPTPTPCPTPCPTPTPTPGP*G)-3'	dna	13	—	—

Ligands and binding sites

P11 · Imidazole-pyrrole-beta alanine-imidazole-beta alanine-imidazole-pyrrole-beta alanine-dimethylamino propylamide · 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 · 592 Å² buried · 71 hydrogen bonds · nucleic-nucleic

Compared structures

1LEJ · NMR Structure of a 1:1 Complex of Polyamide (Im-Py-Beta-Im-Beta-Im-Py-Beta-Dp) with the… · 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 1LEJ · PDBe 1LEJ

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