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BMRB: 11451

2RS4

NMR strucure of stereo-array isotope labelled (SAIL) peptidyl-prolyl cis-trans isomerase from E. coli (EPPIb)

Authors

Takeda, M., Jee, J., Ono, A.M., Okuma, K., Terauchi, T., Kainosho, M.

Assembly

peptidyl-prolyl cis-trans isomerase

Entity

1. peptidyl-prolyl cis-trans isomerase (polymer), 164 monomers, 18153.26 Da Detail

MVTFHTNHGD IVIKTFDDKA PETVKNFLDY CREGFYNNTI FHRVINGFMI QGGGFEPGMK QKATKEPIKN EANNGLKNTR GTLAMARTQA PHSATAQFFI NVVDNDFLNF SGESLQGWGY CVFAEVVDGM DVVDKIKGVA TGRSGMHQDV PKEDVIIESV TVSE

Formula weight

18153.26 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 76.6 %, Completeness (bb): 83.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.6 % (1441 of 1882)	76.4 % (742 of 971)	71.6 % (525 of 733)	97.8 % (174 of 178)
Backbone	83.7 % (815 of 974)	95.6 % (324 of 339)	69.7 % (332 of 476)	100.0 % (159 of 159)
Sidechain	73.1 % (772 of 1056)	66.1 % (418 of 632)	83.7 % (339 of 405)	78.9 % (15 of 19)
Aromatic	74.4 % (131 of 176)	86.4 % (76 of 88)	62.1 % (54 of 87)	100.0 % (1 of 1)
Methyl	78.0 % (131 of 168)	79.8 % (67 of 84)	76.2 % (64 of 84)

1. entity

MVTFHTNHGD IVIKTFDDKA PETVKNFLDY CREGFYNNTI FHRVINGFMI QGGGFEPGMK QKATKEPIKN EANNGLKNTR GTLAMARTQA PHSATAQFFI NVVDNDFLNF SGESLQGWGY CVFAEVVDGM DVVDKIKGVA TGRSGMHQDV PKEDVIIESV TVSE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	EPPIb	SAIL [e-SAIL Phe, e-SAIL Tyr]	0.3 mM
2	sodium phosphate	natural abundance	50 mM
3	DTT	natural abundance	1 mM
4	sodium chloride	natural abundance	100 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	EPPIb	SAIL [z-SAIL Phe, e-SAIL Tyr]	0.3 mM
6	sodium phosphate	natural abundance	50 mM
7	DTT	natural abundance	1 mM
8	sodium chloride	natural abundance	100 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2

#	Name	Isotope labeling	Concentration
9	EPPIb	SAIL [d-SAIL Phe, d-SAIL Tyr]	0.3 mM
10	sodium phosphate	natural abundance	50 mM
11	DTT	natural abundance	1 mM
12	sodium chloride	natural abundance	100 mM

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: 0.4 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: 0.4 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: -0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2RS4, Strand ID: A Detail

Release date

2015-06-25

Citation

Hydrogen exchange study on the hydroxyl groups of serine and threonine residues in proteins and structure refinement using NOE restraints with polar side-chain groups
Takeda, M., Jee, J., Ono, A.M., Terauchi, T., Kainosho, M.
J. Am. Chem. Soc. (2011), 133, 17420-17427, PubMed 21955241 , DOI 10.1021/ja206799v , Abstract

Related entities 1. peptidyl-prolyl cis-trans isomerase, : 1 : 3 : 4 : 258 entities Detail

Interaction partners 1. peptidyl-prolyl cis-trans isomerase, : 6 interactors Detail

More details for 6 interactors identified by 4 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC