BMRB: 34620

Oxytocin NMR solution structure

Authors

Shalev, D.E., Alshanski, I., Yitzchaik, S., Hurevich, M.

Assembly

Oxytocin

Entity

1. Oxytocin (polymer, Thiol state: all disulfide bound), 10 monomers, 1008.195 Da Detail

CYIQNCPLGX

Formula weight

1008.195 Da

Entity Connection

disulfide 1 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS1:SG	1:CYS6:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 90.0 %, Completeness: 100.0 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	100.0 % (54 of 54)	100.0 % (54 of 54)
Backbone	100.0 % (18 of 18)	100.0 % (18 of 18)
Sidechain	100.0 % (36 of 36)	100.0 % (36 of 36)
Aromatic	100.0 % (4 of 4)	100.0 % (4 of 4)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. entity 1

CYIQNCPLGX

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 297.3 (±0.1) K, pH 6.7 (±0.1), Details 5 mM ammonium acetate, 3.3 mM Oxytocin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ammonium acetate	natural abundance		5 (±0.5) mM
2	Oxytocin	natural abundance		3.3 (±0.2) mM

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Release date

2021-06-10

Citation

Determining the structure and binding mechanism of oxytocin-Cu²⁺ complex using paramagnetic relaxation enhancement NMR analysis
Alshanski, I., Shalev, D.E., Yitzchaik, S., Hurevich, M.
J. Biol. Inorg. Chem. (2021), 26, 809-815, PubMed 34459989 , DOI 10.1007/s00775-021-01897-1 , Abstract

Related entities 1. Oxytocin, : 1 : 9 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail