MolNFT v1 · #105407 · DNA
Racemic crystal structure of a tetramolecular DNA G-quadruplex
4R44 · 5'-D(*TP*GP*GP*GP*GP*T)-3': “Racemic crystal structure of a tetramolecular DNA G-quadruplex”. X-ray diffraction, 2 ligands (K, NA). MolNFT v1 #105407 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4R44
- Type
- DNA
- Length
- 80 nucleotides
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*TP*GP*GP*GP*GP*T)-3'
- Ligands
- K, NA
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P | 5'-D(*TP*GP*GP*GP*GP*T)-3' | dna | 5 | — | — |
Ligands and binding sites
- K · Potassium ion · metal · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
- NA · Sodium ion · metal · 4 copies · chains K, P, N, O
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
48 interfaces between chains.
- I–N · 281 Ų buried · 4 hydrogen bonds · nucleic-nucleic
- B–E · 280 Ų buried · 8 hydrogen bonds · nucleic-nucleic
- K–P · 279 Ų buried · 6 hydrogen bonds · nucleic-nucleic
- D–G · 272 Ų buried · 6 hydrogen bonds · nucleic-nucleic
- A–F · 270 Ų buried · 7 hydrogen bonds · nucleic-nucleic
Compared structures
- 4R44 · Racemic crystal structure of a tetramolecular DNA G-quadruplex · 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 4R44 · PDBe 4R44
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