MolNFT v1 · #95843 · DNA
Multiple crystal structures of an all-at DNA dodecamer stabilized by weak interactions
4J2I · 5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3': “Multiple crystal structures of an all-at DNA dodecamer stabilized by weak interactions”. X-ray diffraction, 2 pockets (best druggability 0.27). MolNFT v1 #95843 on GenesisL1: 3D…
- PDB
- 4J2I
- Type
- DNA
- Length
- 96 nucleotides
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3'
- Pockets
- 2 · best druggability 0.27
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | 5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3' | dna | 12 | — | — |
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 | 55 | 0.27 | 0.74 | 14 | empty |
| 2 | 54 | 0.26 | 0.74 | 13 | empty |
Interfaces
8 interfaces between chains.
- C–D · 550 Ų buried · 51 hydrogen bonds · nucleic-nucleic
- E–F · 522 Ų buried · 48 hydrogen bonds · nucleic-nucleic
- G–H · 505 Ų buried · 44 hydrogen bonds · nucleic-nucleic
- A–B · 505 Ų buried · 46 hydrogen bonds · nucleic-nucleic
- B–C · 54 Ų buried · 0 hydrogen bonds · nucleic-nucleic
Compared structures
- 4J2I · Multiple crystal structures of an all-AT DNA dodecamer stabilized by weak interactions · 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 4J2I · PDBe 4J2I
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