MolNFT v1 · #80924 · DNA
The absence of tertiary interactions in a self-assembled DNA crystal structure
3UBI · DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*CP*GP*TP*AP*CP*TP*CP*G)…: “The absence of tertiary interactions in a self-assembled DNA crystal structure”. X-ray diffraction, 2 pockets (best druggability 0.37). MolNFT v1 #80924 on GenesisL1: 3D…
- PDB
- 3UBI
- Type
- DNA
- Length
- 62 nucleotides
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*CP*GP*TP*AP*CP*TP*CP*G)- 3'); DNA (5'…
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*CP*GP*TP*AP*CP*TP*CP*G)- 3') | dna | 16 | — | — |
| D | DNA (5'- D(P*CP*CP*GP*AP*GP*TP*AP*CP*GP*AP*CP*GP*AP*CP*AP*AP*G)-3') | dna | 17 | — | — |
| B | DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*AP*GP*GP*CP*TP*GP*C)-3') | dna | 14 | — | — |
| C | DNA (5'-D(P*GP*CP*TP*TP*GP*TP*CP*GP*TP*TP*CP*AP*TP*CP*A)- 3') | dna | 15 | — | — |
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 | 155 | 0.37 | 0.72 | 18 | empty |
| 2 | 71 | 0.26 | 0.72 | 10 | empty |
Interfaces
6 interfaces between chains.
- A–D · 397 Ų buried · 17 hydrogen bonds · nucleic-nucleic
- D–C · 356 Ų buried · 18 hydrogen bonds · nucleic-nucleic
- A–B · 321 Ų buried · 22 hydrogen bonds · nucleic-nucleic
- B–C · 271 Ų buried · 6 hydrogen bonds · nucleic-nucleic
- D–B · 263 Ų buried · 3 hydrogen bonds · nucleic-nucleic
Compared structures
- 3UBI · The Absence of Tertiary Interactions in a Self-Assembled DNA Crystal Structure · the same entry in another collection · chain C against C, 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 3UBI · PDBe 3UBI
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