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A short lexitropsin that recognizes the DNA minor groove at 5'-actagt- 3': understanding the role of isopropyl-thiazole

Analyse A short lexitropsin that recognizes the DNA minor groove at 5'-actagt- 3'… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3'dna10——

Ligands and binding sites

  • AIK · N-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide · 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 · 452 Ų buried · 67 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1RMX · A short lexitropsin that recognizes the DNA minor groove at 5'-actagt-3': understanding… · the same entry in another collection · chain A against A, TM-score 1.00

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