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BMRB: 26840

5O7J

'1H, 13C, and 15N Chemical Shift Assignments for the periplasmic domain of GacS histidine-kinase'

Authors

Ali-Ahmad, A., Bornet, O., Guerlesquin, F., Sebban-Kreuzer, C.

Assembly

GacSperi monomer

Entity

1. GacSperi monomer (polymer, Thiol state: not present), 150 monomers, 16351.16 Da Detail

MGHHHHHHSS GVDLGTENLY FQSMRAQLIE RGQLIAEQLA PLAATALARK DTAVLNRIAN EALDQPDVRA VTFLDARQER LAHAGPSMLT VAPAGDASHL SMSTELDTTH FLLPVLGRHH SLSGATEPDD ERVLGWVELE LSHHGTLLRG

Formula weight

16351.16 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 89.7 %, Completeness (bb): 92.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.7 % (1480 of 1650)	90.9 % (767 of 844)	87.6 % (571 of 652)	92.2 % (142 of 154)
Backbone	92.6 % (822 of 888)	93.8 % (286 of 305)	92.0 % (404 of 439)	91.7 % (132 of 144)
Sidechain	87.0 % (784 of 901)	89.2 % (481 of 539)	83.2 % (293 of 352)	100.0 % (10 of 10)
Aromatic	45.1 % (46 of 102)	49.0 % (25 of 51)	40.0 % (20 of 50)	100.0 % (1 of 1)
Methyl	96.4 % (185 of 192)	99.0 % (95 of 96)	93.8 % (90 of 96)

1. GacSperi

MGHHHHHHSS GVDLGTENLY FQSMRAQLIE RGQLIAEQLA PLAATALARK DTAVLNRIAN EALDQPDVRA VTFLDARQER LAHAGPSMLT VAPAGDASHL SMSTELDTTH FLLPVLGRHH SLSGATEPDD ERVLGWVELE LSHHGTLLRG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	GacSperi	natural abundance	1 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	150 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
6	GacSperi	[U-100% 15N]	0.8 mM
7	sodium phosphate	natural abundance	50 mM
8	sodium chloride	natural abundance	150 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
11	GacSperi	[U-100% 13C; U-100% 15N]	0.8 mM
12	sodium phosphate	natural abundance	50 mM
13	sodium chloride	natural abundance	150 mM
14	H2O	natural abundance	90 %
15	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	indirect	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	indirect	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	indirect	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	indirect	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5O7J, Strand ID: A Detail

Release date

2016-06-26

Citation

NMR assignments of the GacS histidine-kinase periplasmic detection domain from Pseudomonas aeruginosa PAO1
Ali Ahmad, A., Bornet, O., Guerlesquin, F., Bourne, Y., Vincent, F., Sebban-Kreuzer, C.
Biomol. NMR Assign. (2017), 11, 25-28, PubMed 27714507 , DOI 10.1007/s12104-016-9714-7 , Abstract

Related entities 1. GacSperi monomer, : 4 entities Detail

Experiments performed 17 experiments Detail

1 2D 1H-1H TOCSY