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MolNFT v1 · #47203 · DNA

Directing macromolecular conformation through halogen bonds

2ORH · DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'): “Directing macromolecular conformation through halogen bonds”. X-ray diffraction, 1 ligand (NA). MolNFT v1 #47203 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2ORH
Type
DNA
Length
20 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'); DNA…
Ligands
NA

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3')dna10——
BDNA (5'-D(*CP*CP*GP*GP*TP*AP*(DU)P*CP*GP*G)-3')dna10——

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 303 Ų buried · 26 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2ORH · Directing Macromolecular Conformation Through Halogen Bonds · the same entry in another collection · chain A against A, TM-score 1.00

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