BMRB: 31024

NMR structure of a Stapled Lanthipeptide Natural Product

Authors

Pei, Z., Zhu, L., Nair, S.K.

Assembly

Lanthipeptide Natural Product mSmoAc

Entity

1. Lanthipeptide Natural Product mSmoAc (polymer, Thiol state: all other bound), 28 monomers, 2783.142 Da Detail

FAADAWAAQD MAXGNPLXXX FCCXVQCG

Formula weight

2783.142 Da

Entity Connection

covalent 3 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:DAL13:CB	1:CYS22:SG
2	covalent	sing	1:DBB20:CB	1:CYS23:SG
3	covalent	sing	1:DAL24:CB	1:CYS27:SG

Source organism

Streptomyces morookaense

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 82.1 %, Completeness: 94.2 %, Completeness (bb): 97.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	94.2 % (113 of 120)	94.2 % (113 of 120)
Backbone	97.9 % (46 of 47)	97.9 % (46 of 47)
Sidechain	91.8 % (67 of 73)	91.8 % (67 of 73)
Aromatic	62.5 % (10 of 16)	62.5 % (10 of 16)
Methyl	100.0 % (10 of 10)	100.0 % (10 of 10)

1. entity 1

FAADAWAAQD MAXGNPLXXX FCCXVQCG

Show sample condition

Sample

Solvent system 70% H2O/30% ACN-d3, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.5 mM mSmoAc, 70% H2O/30% ACN-d3

#	Name	Isotope labeling	Type	Concentration
1	mSmoAc	natural abundance		1.5 (±0.2) mM

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Release date

2022-06-19

Citation

Class V Lanthipeptide Cyclase Directs the Biosynthesis of a Stapled Peptide Natural Product
Pei, Z.F., Zhu, L., Sarksian, R., van der Donk, W.A., Nair, S.K.
J. Am. Chem. Soc. (2022), 144, 17549-17557, PubMed 36107785 , DOI 10.1021/jacs.2c06808 , Abstract

Related entities 1. Lanthipeptide Natural Product mSmoAc, : 1 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail