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BMRB: 18904

2M2A

NMR solution structure of the two domain PPIase SlpA from Escherichia coli

Authors

Kovermann, M., Weininger, U., Balbach, J.

Assembly

two domain PPIase SlpA from Escherichia coli

Entity

1. two domain PPIase SlpA from Escherichia coli (polymer, Thiol state: not present), 148 monomers, 16009.73 Da Detail

MSESVQSNSA VLVHFTLKLD DGTTAESTRN NGKPALFRLG DASLSEGLEQ HLLGLKVGDK TTFSLEPDAA FGVPSPDLIQ YFSRREFMDA GEPEIGAIML FTAMDGSEMP GVIREINGDS ITVDFNHPLA GQTVHFDIEV LEIDPALE

Formula weight

16009.73 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 88.8 %, Completeness (bb): 84.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.8 % (1462 of 1647)	97.3 % (823 of 846)	75.5 % (492 of 652)	98.7 % (147 of 149)
Backbone	84.2 % (734 of 872)	97.0 % (292 of 301)	70.5 % (304 of 431)	98.6 % (138 of 140)
Sidechain	94.6 % (861 of 910)	97.4 % (531 of 545)	90.2 % (321 of 356)	100.0 % (9 of 9)
Aromatic	81.6 % (93 of 114)	100.0 % (57 of 57)	63.2 % (36 of 57)
Methyl	96.5 % (166 of 172)	95.3 % (82 of 86)	97.7 % (84 of 86)

1. PPIase SlpA

MSESVQSNSA VLVHFTLKLD DGTTAESTRN NGKPALFRLG DASLSEGLEQ HLLGLKVGDK TTFSLEPDAA FGVPSPDLIQ YFSRREFMDA GEPEIGAIML FTAMDGSEMP GVIREINGDS ITVDFNHPLA GQTVHFDIEV LEIDPALE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	PPIase_SlpA	[U-99% 13C; U-99% 15N]	1 mM
2	potassium phosphate	natural abundance	100 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.06 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M2A, Strand ID: A Detail

Release date

2013-12-15

Citation

Structure-Based Insights into the Dynamics and Function of Two-Domain SlpA from Escherichia coli
Kovermann, M., Geitner, A., Weininger, U., Schmid, F., Balbach, J.
Biochemistry (2017), PubMed 29155566 , DOI 10.1021/acs.biochem.7b00786 , Abstract

Related entities 1. two domain PPIase SlpA from Escherichia coli, : 1 : 3 : 42 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC