1P9F: NMR Structure of Neurokinin B from DYANA

Neurokinin B (NKB), a decapeptide of mammalian origin exhibits a variety of biological activities such as regulatory functions in reproduction, pre-eclampsia and neuroprotection in Alzheimer's disease. In order to gain insight into structure-function relationship, three-dimensional structure of NKB has been investigated using CD spectropolarimetry and two-dimensional proton nuclear magnetic resonance (2D 1H-NMR) spectroscopy in aqueous and membrane mimetic solvents. Unambiguous NMR assignments of resonances have been made with the aid of correlation spectroscopy (DQF-COSY and TOCSY) experiments and Nuclear Overhauser Effect Spectroscopy (NOESY) experiments. Distance constraints obtained from the NMR data have been used to generate a family of structures, which have been refined using restrained energy minimization and dynamics. Our data show that a helical structure is induced in NKB, in presence of perdeuterated dodecyl phosphocholine (DPC) micelles, a membrane model system. Further, the conformation adopted by NKB in presence of DPC micelles represents a structural motif typical of neurokinin-3 selective agonists.
PDB ID: 1P9FDownload
MMDB ID: 50760
PDB Deposition Date: 2003/5/12
Updated in MMDB: 2007/10
Experimental Method:
solution nmr
Similar Structures:
Molecular Components in 1P9F
Label Count Molecule
Protein (1 molecule)
Neurokinin B(Gene symbol: TAC3)
Molecule annotation
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Citing MMDB