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The crystal structure of coptisine bound to DNA D(CGTACG)

Analyse The crystal structure of coptisine bound to DNA D(CGTACG) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4D9X
Type
DNA
Length
22 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
Ligands
KPT, CA

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CDNA (5'-D(*CP*GP*TP*AP*CP*G)-3')dna5——
B, DDNA (5'-D(*CP*GP*TP*AP*CP*G)-3')dna6——

Ligands and binding sites

  • KPT · 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium · ligand · chains C, D
  • CA · Calcium ion · metal · chains B, D

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

Interfaces

6 interfaces between chains.

  • C–D · 185 Ų buried · 19 hydrogen bonds · nucleic-nucleic
  • A–B · 177 Ų buried · 17 hydrogen bonds · nucleic-nucleic
  • B–C · 175 Ų buried · 4 hydrogen bonds · nucleic-nucleic
  • A–D · 175 Ų buried · 4 hydrogen bonds · nucleic-nucleic
  • B–D · 172 Ų buried · 4 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4D9X · The crystal structure of Coptisine bound to DNA d(CGTACG) · the same entry in another collection · chain A against A, TM-score 1.00

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