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MolNFT v1 · #27831 · protein + DNA

X-ray structure of an echinomycin-(GCGTACGC)2 complex

1XVK · 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3': “X-ray structure of an echinomycin-(GCGTACGC)2 complex”. X-ray diffraction, 2 ligands (QUI, MG). MolNFT v1 #27831 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1XVK
Type
protein + DNA
Length
16 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3'; Echinomycin
Ligands
QUI, MG

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3'dna8——
BEchinomycinprotein80% helix, 0% strand—

Ligands and binding sites

  • QUI · 2-carboxyquinoxaline · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · chains A

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

Interfaces

1 interface between chains.

  • A–B · 238 Ų buried · 3 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 4 modified, 2 covalent, 2 d-amino (covalent ligand, D-amino acid, methylation, nonstandard).

Compared structures

  • 1XVK · X-ray structure of an Echinomycin-(GCGTACGC)2 complex · the same entry in another collection · chain A against A, TM-score 1.00

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