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MolNFT v1 · #150217 · DNA

Racemic crystal structure of a-DNA duplex formed from D(CCCGGG) in space group P21/N

6GN3 · DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'): “Racemic crystal structure of a-DNA duplex formed from D(CCCGGG) in space group P21/N”. X-ray diffraction, 3 ligands (TMO, CO, CL). MolNFT v1 #150217 on GenesisL1: 3D structure, binding sites and…

PDB
6GN3
Type
DNA
Length
36 nucleotides
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*CP*CP*GP*GP*G)-3')
Ligands
TMO, CO, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FDNA (5'-D(*CP*CP*CP*GP*GP*G)-3')dna6——

Ligands and binding sites

  • TMO · trimethylamine oxide · ligand · 4 copies · chains A, B, F
  • CO · Cobalt (II) ion · metal · 2 copies · chains B, D
  • CL · Chloride ion · ion · chains C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

12 interfaces between chains.

  • E–F · 324 Ų buried · 43 hydrogen bonds · nucleic-nucleic
  • A–B · 323 Ų buried · 32 hydrogen bonds · nucleic-nucleic
  • C–D · 318 Ų buried · 33 hydrogen bonds · nucleic-nucleic
  • D–F · 163 Ų buried · 4 hydrogen bonds · nucleic-nucleic
  • B–D · 144 Ų buried · 2 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6GN3 · Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group P21/n · the same entry in another collection · chain A against A, TM-score 1.00

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