MolNFT v1 · #14783 · DNA
NMR refined structure of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy- aflatoxin B1 adduct in a 5'-cpafbg-3' sequence
1MKL · 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3': “NMR refined structure of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy- aflatoxin B1 adduct in a 5'-cpafbg-3'…”. Solution nmr, 1 ligand (AFN). MolNFT v1 #14783 on GenesisL1: 3D structure, binding…
- PDB
- 1MKL
- Type
- DNA
- Length
- 20 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'; 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3'
- Ligands
- AFN
Structure
solution nmr · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3' | dna | 10 | — | — |
| B | 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3' | dna | 10 | — | — |
Ligands and binding sites
- AFN · 8,9-dihydro-9-hydroxy-aflatoxin B1 · 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 · 433 Ų buried · 28 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1MKL · NMR refined structure of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy-aflatoxin B1 adduct in a… · 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 1MKL · PDBe 1MKL
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