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MolNFT v1 · #186580 · DNA

Crystal structure of hairpin polyamide py-im 1 bound to 5' cctgaccagg

7RIL: “Crystal structure of hairpin polyamide py-im 1 bound to 5' cctgaccagg”. X-ray diffraction, 1 ligand (5N0). MolNFT v1 #186580 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7RIL
Type
DNA
Length
20 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Ligands
5N0

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—dna10——
B—dna10——

Ligands and binding sites

  • 5N0 · 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl) amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl) amino]propyl}carbamoyl)benzoic acid · ligand · chains A, B
  • ACT · Acetate ion · additive · chains A, B

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

Compared structures

  • 7RIL · Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG · the same entry in another collection · chain A against A, TM-score 1.00

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