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BMRB: 36083

5XM4

Solution NMR structure of a new lasso peptide subterisin

Authors

Hemmi, H., Kodani, S., Kuroha, M., Ohnishi-Kameyama, M.

Assembly

uncharacterized protein subterisin

Entity

1. uncharacterized protein subterisin (polymer, Thiol state: not present), 17 monomers, 1722.938 Da Detail

GPPGDRIEFG VLAQLPG

Formula weight

1722.938 Da

Source organism

Novosphingobium subterraneum

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.9 %, Completeness (bb): 79.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	88.9 % (152 of 171)	95.9 % (94 of 98)	79.5 % (58 of 73)
Backbone	79.3 % (65 of 82)	94.3 % (33 of 35)	68.1 % (32 of 47)
Sidechain	98.0 % (100 of 102)	96.8 % (61 of 63)	100.0 % (39 of 39)
Aromatic	100.0 % (10 of 10)	100.0 % (5 of 5)	100.0 % (5 of 5)
Methyl	100.0 % (18 of 18)	100.0 % (9 of 9)	100.0 % (9 of 9)

1. uncharacterized protein subterisin

GPPGDRIEFG VLAQLPG

Show sample condition

Sample

Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

Protein Blocks Logo

Calculated from 15 models in PDB: 5XM4, Strand ID: A Detail

Release date

2018-04-22

Citation

Isolation and structure determination of a new lasso peptide subterisin from Sphingomonas subterranea
Kuroha, M., Hemmi, H., Ohnishi-Kameyama, M., Kodani, S.
Tetrahedron Lett. (2017), 58, 3429-3432, PubMed , DOI 10.1016/j.tetlet.2017.07.064

Related entities 1. uncharacterized protein subterisin, : 1 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

2 2D 1H-13C HMBC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

3 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

4 2D 1H-1H TOCSY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

5 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

6 2D 1H-1H NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

7 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

8 2D 1H-1H COSY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 16 mg/mL NA-C,N,H subterisin, DMSO

#	Name	Isotope labeling	Type	Concentration
1	subterisin	natural abundance	protein	16 mg/mL
2	DMSO-d6	[U-2H]	solvent	100 %

nullKeywords UNKNOWN FUNCTION, antibacterial, lasso peptide