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3D solution structure of [TYR3]OCTREOTATE derivatives in dmso

Analyse 3D solution structure of [TYR3]OCTREOTATE derivatives in dmso in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1YL9
Type
protein
Length
8 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
[TYR3]OCTREOTATE
Ligands
CH4

Structure

solution nmr · 1 distinct chain · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A[TYR3]OCTREOTATEprotein80% helix, 0% strand—

Ligands and binding sites

  • CH4 · 3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal · ligand · chains A

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

Modifications

Observed in the structure: 2 d-amino, 1 covalent, 1 disulfide (D-amino acid, covalent ligand, disulfide).

Compared structures

  • 1YL9 · 3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO · the same entry in another collection · chain A against A, TM-score 1.00

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