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BMRB: 19355

2MAI

Lassomycin

Authors

Gavrish, E., Sit, C.S., Kandror, O., Spoering, A., Peoples, A., Ling, L., Fetterman, A., Hughes, D., Cao, S., Bissell, A., Torrey, H., Akopian, T., Mueller, A., Epstein, S., Goldberg, A., Clardy, J., Lewis, K.

Assembly

Lassomycin

Entity

1. Lassomycin, entity 1 (polymer), 15 monomers, 1770.051 Da Detail

GLRRLFANQL VGRRN

2. methyl L-isoleucinate (non-polymer), 145.199 Da

Total weight

1915.25 Da

Max. entity weight

1770.051 Da

Source organism

Lentzea kentuckyensis

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 76.9 %, Completeness (bb): 81.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.9 % (143 of 186)	76.0 % (76 of 100)	76.5 % (52 of 68)	83.3 % (15 of 18)
Backbone	81.1 % (73 of 90)	81.3 % (26 of 32)	81.4 % (35 of 43)	80.0 % (12 of 15)
Sidechain	77.1 % (84 of 109)	73.5 % (50 of 68)	81.6 % (31 of 38)	100.0 % (3 of 3)
Aromatic	0.0 % (0 of 10)	0.0 % (0 of 5)	0.0 % (0 of 5)
Methyl	88.9 % (16 of 18)	77.8 % (7 of 9)	100.0 % (9 of 9)

1. entity 1

GLRRLFANQL VGRRN

Show sample condition

Sample

Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2MAI, Strand ID: A Detail

Release date

2014-04-13

Citation

Lassomycin, a ribosomally synthesized cyclic peptide, kills mycobacterium tuberculosis by targeting the ATP-dependent protease ClpC1P1P2
Gavrish, E., Sit, C.S., Cao, S., Kandror, O., Spoering, A., Peoples, A., Ling, L., Fetterman, A., Hughes, D., Bissell, A., Torrey, H., Akopian, T., Mueller, A., Epstein, S., Goldberg, A., Clardy, J., Lewis, K.
Chem. Biol. (2014), 21, 509-518, PubMed 24684906 , DOI 10.1016/j.chembiol.2014.01.014 , Abstract

Related entities 1. Lassomycin, entity 1, : 1 : 1 : 2 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

2 3D CBCA(CO)NH

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

3 3D HNCO

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

4 3D HNCACB

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

5 3D HCCH-TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

6 3D HNHA

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

7 3D 1H-15N TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

8 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

9 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]		4 mM
2	DMSO	natural abundance		0.0 ~ 0.0 mM

nullKeywords lasso