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BMRB: 25717

2N5I

PltL-pyrrolyl

Authors

Jaremko, M.J., Lee, D.JOHN., Burkart, M.D.

Assembly

PltL-pyrrolyl

Entity

1. PltL-pyrrolyl, entity (polymer, Thiol state: not present), 90 monomers, 10300.70 Da Detail

MDGEEVKEKI RRYIMEDLIG PSAKEDELDD QTPLLEWGIL NSMNIVKLMV YIRDEMGVSI PSTHITGKYF KDLNAISRTV EQLKAESALE

2. PltL-pyrrolyl, entity 4EM (non-polymer), 434.381 Da

Total weight

10735.081 Da

Max. entity weight

10300.7 Da

Source organism

Pseudomonas protegens Pf-5

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 89.4 %, Completeness (bb): 83.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.4 % (952 of 1065)	96.2 % (536 of 557)	78.6 % (326 of 415)	96.8 % (90 of 93)
Backbone	83.9 % (448 of 534)	96.7 % (176 of 182)	70.9 % (188 of 265)	96.6 % (84 of 87)
Sidechain	95.5 % (588 of 616)	96.0 % (360 of 375)	94.5 % (222 of 235)	100.0 % (6 of 6)
Aromatic	80.0 % (40 of 50)	96.0 % (24 of 25)	62.5 % (15 of 24)	100.0 % (1 of 1)
Methyl	99.1 % (107 of 108)	100.0 % (54 of 54)	98.1 % (53 of 54)

1. entity

MDGEEVKEKI RRYIMEDLIG PSAKEDELDD QTPLLEWGIL NSMNIVKLMV YIRDEMGVSI PSTHITGKYF KDLNAISRTV EQLKAESALE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

LACS Plot; CA

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.07 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N5I, Strand ID: A Detail

Release date

2015-09-15

Citation

Structure and Substrate Sequestration in the Pyoluteorin Type II Peptidyl Carrier Protein PltL
Jaremko, M.J., Lee, D.JOHN., Opella, S.J., Burkart, M.D.
J. Am. Chem. Soc. (2015), 137, 11546-11549, PubMed 26340431 , DOI 10.1021/jacs.5b04525 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 25716 released on 2015-09-13
Title PltL-holo

Related entities 1. PltL-pyrrolyl, entity, : 3 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

2 2D 1H-13C HSQC

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

3 3D CBCA(CO)NH

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

4 3D HNCO

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

5 3D HNCACB

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

6 3D HCCH-TOCSY

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

7 3D 1H-15N NOESY

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

8 3D 1H-13C NOESY aliphatic

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

9 3D 1H-13C NOESY aromatic

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

10 3D HCCH-COSY

Instrument

Varian VS 500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance		50 mM
3	TCEP	natural abundance		5 mM
4	sodium azide	natural abundance		0.1 %

nullKeywords PltL, peptidyl carrier protein, pyoluteorin, pyrrole