Research workbench
Human telomeric G-quadruplex DNA sequence (TTAGGGT)4 complexed with flavonoid quercetin
Analyse Human telomeric G-quadruplex DNA sequence (TTAGGGT)4 complexed with flavonoid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2MS6
- Type
- DNA
- Length
- 28 nucleotides
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3')
- Ligands
- QUE
- Pockets
- 2 · best druggability 0.42
Structure
solution nmr · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3') | dna | 7 | — | — |
Ligands and binding sites
- QUE · 3,5,7,3',4'-pentahydroxyflavone · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.42 | 0.80 | 11 | QUE |
| 2 | 81 | 0.38 | 0.78 | 10 | QUE |
Interfaces
6 interfaces between chains.
- B–C · 344 Ų buried · 15 hydrogen bonds · nucleic-nucleic
- A–D · 341 Ų buried · 22 hydrogen bonds · nucleic-nucleic
- A–B · 270 Ų buried · 17 hydrogen bonds · nucleic-nucleic
- C–D · 261 Ų buried · 13 hydrogen bonds · nucleic-nucleic
- A–C · 128 Ų buried · 0 hydrogen bonds · nucleic-nucleic
Compared structures
- 2MS6 · Human Telomeric G-quadruplex DNA sequence (TTAGGGT)4 complexed with Flavonoid Quercetin · 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 2MS6 · PDBe 2MS6
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