MolNFT v1 · #18492 · DNA
NMR structure of a cyclic polyamide-DNA complex
1PQQ · 5'-D(*CP*GP*CP*TP*AP*AP*CP*AP*GP*GP*C)-3': “NMR structure of a cyclic polyamide-DNA complex”. Solution nmr, 1 ligand (CYE). MolNFT v1 #18492 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1PQQ
- Type
- DNA
- Length
- 22 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*CP*GP*CP*TP*AP*AP*CP*AP*GP*GP*C)-3'; 5'-D(*GP*CP*CP*TP*GP*TP*TP*AP*GP*CP*G)-3'
- Ligands
- CYE
Structure
solution nmr · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5'-D(*CP*GP*CP*TP*AP*AP*CP*AP*GP*GP*C)-3' | dna | 11 | — | — |
| B | 5'-D(*GP*CP*CP*TP*GP*TP*TP*AP*GP*CP*G)-3' | dna | 11 | — | — |
Ligands and binding sites
- CYE · 45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene · 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 · 508 Ų buried · 58 hydrogen bonds · nucleic-nucleic
Compared structures
- 1PQQ · NMR Structure of a Cyclic Polyamide-DNA Complex · 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 1PQQ · PDBe 1PQQ
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