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Crystal structure analysis of deamino-oxytocin. conformational flexibility and receptor binding

Analyse Crystal structure analysis of deamino-oxytocin. conformational flexibility and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1XY1
Type
protein
Length
16 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-mercaptopropionate-oxytocin
Ligands
MPT, NH2

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-mercaptopropionate-oxytocinprotein80% helix, 0% strand—

Ligands and binding sites

  • MPT · Beta-mercaptopropionic acid · ligand · 2 copies · chains A, B
  • NH2 · Amino group · ion · 2 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 · 154 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 1XY1 · Crystal structure analysis of deamino-oxytocin. conformational flexibility and receptor… · the same entry in another collection · chain A against A, TM-score 1.00

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