MolNFT v1 · #21249 · DNA
Crystal structure analysis of the DNA quadruplex D(TGGGGT) S1
1S45 · 5'-D(*TP*GP*GP*GP*GP*T)-3': “Crystal structure analysis of the DNA quadruplex D(TGGGGT) S1”. X-ray diffraction, 3 ligands (TL, MG, NA). MolNFT v1 #21249 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1S45
- Type
- DNA
- Length
- 46 nucleotides
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*TP*GP*GP*GP*GP*T)-3'
- Ligands
- TL, MG, NA
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, F, G | 5'-D(*TP*GP*GP*GP*GP*T)-3' | dna | 6 | — | — |
| B, H | 5'-D(*TP*GP*GP*GP*GP*T)-3' | dna | 5 | — | — |
Ligands and binding sites
- TL · Thallium (I) ion · metal · 6 copies · chains A, B, C, D, E, F, G, H
- MG · Magnesium ion · metal · chains A, E, H
- NA · Sodium ion · metal · chains E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
24 interfaces between chains.
- D–F · 291 Ų buried · 10 hydrogen bonds · nucleic-nucleic
- A–E · 290 Ų buried · 10 hydrogen bonds · nucleic-nucleic
- C–G · 289 Ų buried · 9 hydrogen bonds · nucleic-nucleic
- E–F · 287 Ų buried · 15 hydrogen bonds · nucleic-nucleic
- A–D · 284 Ų buried · 13 hydrogen bonds · nucleic-nucleic
Compared structures
- 1S45 · Crystal structure analysis of the DNA quadruplex d(TGGGGT) S1 · the same entry in another collection · chain E against E, 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 1S45 · PDBe 1S45
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