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MolNFT v1 · #139573 · DNA

Crystal structure of the [CO2+-(chromomycin A3)2]-ccg repeats complex

5XJW · DNA (5'-D(*TP*TP*CP*GP*CP*CP*GP*CP*CP*GP*AP*A)-3'): “Crystal structure of the [CO2+-(chromomycin A3)2]-ccg repeats complex”. X-ray diffraction, 6 ligands (DDA, ERI, 2GL). MolNFT v1 #139573 on GenesisL1: 3D structure, binding sites…

PDB
5XJW
Type
DNA
Length
24 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*TP*TP*CP*GP*CP*CP*GP*CP*CP*GP*AP*A)-3')
Ligands
DDA, ERI, 2GL, 1GL, CPH, CO

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*TP*TP*CP*GP*CP*CP*GP*CP*CP*GP*AP*A)-3')dna12——

Ligands and binding sites

  • DDA · beta-D-Olivopyranose · ligand · 4 copies · chains B, A
  • ERI · 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose · ligand · 2 copies · chains A, B
  • 2GL · 4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose · ligand · 2 copies · chains A, B
  • 1GL · 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose · ligand · 2 copies · chains A, B
  • CPH · (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose · ligand · 2 copies · chains A, B
  • CO · Cobalt (II) ion · metal · 3 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 · 481 Ų buried · 47 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5XJW · Crystal Structure of the [Co2+-(Chromomycin A3)2]-CCG repeats Complex · the same entry in another collection · chain B against B, TM-score 1.00

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