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MolNFT v1 · #153831 · DNA

Crystal structure of a nir-emitting DNA-stabilized AG16 nanocluster

6JR4 · DNA (5'-D(*CP*AP*CP*CP*TP*AP*GP*CP*GP*A)-3'): “Crystal structure of a nir-emitting DNA-stabilized AG16 nanocluster”. X-ray diffraction, 2 ligands (AG, CA). MolNFT v1 #153831 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6JR4
Type
DNA
Length
40 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*AP*CP*CP*TP*AP*GP*CP*GP*A)-3')
Ligands
AG, CA

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DDNA (5'-D(*CP*AP*CP*CP*TP*AP*GP*CP*GP*A)-3')dna10——

Ligands and binding sites

  • AG · Silver ion · metal · 38 copies · chains A, B, D, C
  • CA · Calcium ion · metal · 2 copies · 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 · 427 Ų buried · 23 hydrogen bonds · nucleic-nucleic
  • A–B · 426 Ų buried · 24 hydrogen bonds · nucleic-nucleic
  • A–C · 122 Ų buried · 2 hydrogen bonds · nucleic-nucleic
  • A–D · 60 Ų buried · 1 hydrogen bond · nucleic-nucleic
  • B–C · 56 Ų buried · 1 hydrogen bond · nucleic-nucleic

Compared structures

  • 6JR4 · Crystal structure of a NIR-emitting DNA-stabilized Ag16 nanocluster · the same entry in another collection · chain A against A, TM-score 1.00

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