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MolNFT v1 · #188327 · protein

Porous framework formed by assembly of a bipyridyl-conjugated helical peptide

7TMH: “Porous framework formed by assembly of a bipyridyl-conjugated helical peptide”. X-ray diffraction, 3 ligands (CCN, I77, I6W). MolNFT v1 #188327 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7TMH
Type
protein
Length
9 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Helical peptide
Ligands
CCN, I77, I6W

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHelical peptideprotein956% helix, 0% strand—

Ligands and binding sites

  • CCN · Acetonitrile · ligand · 2 copies · chains A
  • I77 · 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide · ligand · chains A
  • I6W · Ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate · ligand · chains A

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

Modifications

Observed in the structure: 3 modified, 2 covalent (nonstandard, covalent ligand).

Compared structures

  • 7TMH · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · the same entry in another collection · chain A against A, TM-score 1.00

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