Research workbench
Minor conformer of a BENZO[A]PYRENE diol epoxide adduct of da in duplex DNA
Analyse Minor conformer of a BENZO[A]PYRENE diol epoxide adduct of da in duplex DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BPS
- Type
- DNA
- Length
- 18 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(*GP*GP*TP*CP*(BAP)AP*CP*GP*AP*G)-3'); DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3')
- Ligands
- BAP
Structure
solution nmr · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA (5'-D(*GP*GP*TP*CP*(BAP)AP*CP*GP*AP*G)-3') | dna | 9 | — | — |
| B | DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3') | dna | 9 | — | — |
Ligands and binding sites
- BAP · 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene · 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 · 415 Ų buried · 44 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1BPS · Minor conformer of a BENZO[A]PYRENE diol epoxide adduct of da in duplex DNA · the same entry in another collection · chain B against B, 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 1BPS · PDBe 1BPS
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