MolNFT v1 · #38422 · DNA
Crystal structure of D(G4T4G4) with four quadruplexes in the asymmetric unit.
2GWQ · 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3': “Crystal structure of D(G4T4G4) with four quadruplexes in the asymmetric unit.”. X-ray diffraction, 1 ligand (K), 2 pockets (best druggability 0.57). MolNFT v1 #38422 on GenesisL1: 3D…
- PDB
- 2GWQ
- Type
- DNA
- Length
- 96 nucleotides
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'
- Ligands
- K
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3' | dna | 12 | — | — |
Ligands and binding sites
- K · Potassium ion · metal · 20 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.57 | 0.83 | 16 | empty |
| 2 | 138 | 0.55 | 0.83 | 17 | empty |
Interfaces
10 interfaces between chains.
- A–B · 805 Ų buried · 60 hydrogen bonds · nucleic-nucleic
- G–H · 803 Ų buried · 66 hydrogen bonds · nucleic-nucleic
- C–D · 797 Ų buried · 55 hydrogen bonds · nucleic-nucleic
- E–F · 789 Ų buried · 65 hydrogen bonds · nucleic-nucleic
- A–C · 148 Ų buried · 5 hydrogen bonds · nucleic-nucleic
Compared structures
- 2GWQ · Crystal structure of D(G4T4G4) with four quadruplexes in the asymmetric unit. · 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 2GWQ · PDBe 2GWQ
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