BMRB: 36181

Solution structure of peptidyl-prolyl cis/trans isomerase domain of Trigger Factor in complex with MBP

Authors

Kawagoe, S., Nakagawa, H., Kumeta, H., Ishimori, K., Saio, T.

Assembly

Maltose-binding periplasmic protein,Trigger factor (E.C.5.2.1.8)

Entity

1. Maltose-binding periplasmic protein,Trigger factor (E.C.5.2.1.8) (polymer, Thiol state: not present), 142 monomers, 15117.47 Da Detail

GIAEAAFNKG ETAMTINGPW AWSNIDTSKV GSGSGSGSGS QATWKEKDGA VEAEDRVTID FTGSVDGEEF EGGKASDFVL AMGQGRMIPG FEDGIKGHKA GEEFTIDVTF PEEYHAENLK GKAAKFAINL KKVEERELPE LT

Formula weight

15117.47 Da

Source organism

Escherichia coli K-12 , Escherichia coli BW2952

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.1 %, Completeness: 77.3 %, Completeness (bb): 78.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	77.3 % (1208 of 1562)	82.2 % (663 of 807)	69.0 % (419 of 607)	85.1 % (126 of 148)
Backbone	78.1 % (659 of 844)	88.0 % (264 of 300)	66.5 % (270 of 406)	90.6 % (125 of 138)
Sidechain	79.3 % (666 of 840)	78.7 % (399 of 507)	82.4 % (266 of 323)	10.0 % (1 of 10)
Aromatic	50.8 % (67 of 132)	60.6 % (40 of 66)	42.9 % (27 of 63)	0.0 % (0 of 3)
Methyl	93.8 % (120 of 128)	93.8 % (60 of 64)	93.8 % (60 of 64)

1. Maltose-binding periplasmic protein,Trigger factor

GIAEAAFNKG ETAMTINGPW AWSNIDTSKV GSGSGSGSGS QATWKEKDGA VEAEDRVTID FTGSVDGEEF EGGKASDFVL AMGQGRMIPG FEDGIKGHKA GEEFTIDVTF PEEYHAENLK GKAAKFAINL KKVEERELPE LT

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 1 mM [U-99% 13C; U-99% 15N] MBP238-266-PPD fusion, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	MBP238-266-PPD fusion	[U-99% 13C; U-99% 15N]	protein	1 mM
2	KPi	natural abundance	buffer	20 mM
3	KCl	natural abundance	salt	100 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

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LACS Plot; CA

Referencing offset: -0.15 ppm, Outliers: 5 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.15 ppm, Outliers: 5 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.02 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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Release date

2018-06-12

Citation

Structural insight into proline cis/trans isomerization of unfolded proteins catalyzed by the Trigger Factor chaperone
Kawagoe, S., Nakagawa, H., Kumeta, H., Ishimori, K., Saio, T.
J. Biol. Chem. (2018), 293, 15095-15106, PubMed 30093407 , DOI 10.1074/jbc.RA118.003579 , Abstract

Related entities 1. Maltose-binding periplasmic protein,Trigger factor (E.C.5.2.1.8), : 1 : 34 entities Detail

Experiments performed 17 experiments Detail