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BMRB: 30583

6O6I

Endoplasmic reticulum protein 29 (ERp29) C-terminal domain: Structure Determination from Backbone Amide Pseudocontact Shifts Generated by Double-histidine Cobalt Tags

Authors

Bahramzadeh, A., Huber, T., Otting, G.

Assembly

Endoplasmic reticulum resident protein 29

Entity

1. Endoplasmic reticulum resident protein 29 (polymer), 106 monomers, 11769.32 Da Detail

PGCLPAYDAL AGQFIEASSR EARQAILKQG QDGLSGVKET DKKWASQYLK IMGKILDQGE DFPASELARI SKLIENKMSE GKKEELQRSL NILTAFRKKG AEKEEL

Formula weight

11769.32 Da

Source organism

Rattus norvegicus

Exptl. method

solution NMR

Refine. method

monte carlo

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 43.9 %, Completeness (bb): 81.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.9 % (550 of 1254)	21.2 % (141 of 665)	64.1 % (305 of 476)	92.0 % (104 of 113)
Backbone	81.6 % (514 of 630)	51.8 % (113 of 218)	96.4 % (298 of 309)	100.0 % (103 of 103)
Sidechain	17.8 % (128 of 721)	6.3 % (28 of 447)	37.5 % (99 of 264)	10.0 % (1 of 10)
Aromatic	0.0 % (0 of 58)	0.0 % (0 of 29)	0.0 % (0 of 28)	0.0 % (0 of 1)
Methyl	14.2 % (15 of 106)	7.5 % (4 of 53)	20.8 % (11 of 53)

1. entity 1

PGCLPAYDAL AGQFIEASSR EARQAILKQG QDGLSGVKET DKKWASQYLK IMGKILDQGE DFPASELARI SKLIENKMSE GKKEELQRSL NILTAFRKKG AEKEEL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details .258 mM [U-13C; U-15N] ERp29-C, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ERp29-C	[U-13C; U-15N]		0.258 (±0.002) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details .135 mM [U-13C; U-15N] ERp29-C, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
2	ERp29-C	[U-13C; U-15N]		0.135 (±0.002) mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details .153 mM [U-13C; U-15N] ERp29-C, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
3	ERp29-C	[U-13C; U-15N]		0.153 (±0.002) mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details .320 mM [U-13C; U-15N] ERp29-C, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
4	ERp29-C	[U-13C; U-15N]		0.320 (±0.002) mM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details .935 mM [U-13C; U-15N] ERp29-C, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	ERp29-C	[U-13C; U-15N]		0.935 (±0.002) mM

LACS Plot; CA

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

Referencing offset: -0.34 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.34 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.46 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 6O6I, Strand ID: A Detail

Release date

2019-07-14

Citation

Three-Dimensional Protein Structure Determination Using Pseudocontact Shifts of Backbone Amide Protons Generated by Double-Histidine Co²⁺-Binding Motifs at Multiple Sites
Bahramzadeh, A., Huber, T., Otting, G.
Biochemistry (2019), 58, 3243-3250, PubMed 31282649 , DOI 10.1021/acs.biochem.9b00404 , Abstract

Related entities 1. Endoplasmic reticulum resident protein 29, : 1 : 4 : 33 entities Detail

Interaction partners 1. Endoplasmic reticulum resident protein 29, : 5 interactors Detail

More details for 5 interactors identified by 2 citations