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BMRB: 16979

2KYR

Solution structure of Enzyme IIB subunit of PTS system from Escherichia coli K12. Northeast Structural Genomics Consortium target ER315/Ontario Center for Structural Proteomics target ec0544

Authors

Wu, B., Yee, A., Gutmanas, A., Semest, A., Arrowsmith, C.H.

Assembly

ec0544

Entity

1. ec0544 (polymer, Thiol state: all free), 108 monomers, 11735.18 Da Detail

MSKKLIALCA CPMGLAHTFM AAQALEEAAV EAGYEVKIET QGADGIQNRL TAQDIAEATI IIHSVAVTPE DNERFESRDV YEITLQDAIK NAAGIIKEIE EMIASEQQ

Formula weight

11735.18 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.1 %, Completeness (bb): 98.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.1 % (1167 of 1202)	97.1 % (600 of 618)	96.4 % (451 of 468)	100.0 % (116 of 116)
Backbone	98.6 % (635 of 644)	98.2 % (215 of 219)	98.4 % (314 of 319)	100.0 % (106 of 106)
Sidechain	96.1 % (635 of 661)	96.5 % (385 of 399)	95.2 % (240 of 252)	100.0 % (10 of 10)
Aromatic	72.7 % (32 of 44)	90.9 % (20 of 22)	54.5 % (12 of 22)
Methyl	100.0 % (144 of 144)	100.0 % (72 of 72)	100.0 % (72 of 72)

1. ec0544

MSKKLIALCA CPMGLAHTFM AAQALEEAAV EAGYEVKIET QGADGIQNRL TAQDIAEATI IIHSVAVTPE DNERFESRDV YEITLQDAIK NAAGIIKEIE EMIASEQQ

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	ec0544	[U-100% 13C; U-100% 15N]	0.5 mM
2	TRIS	[U-100% 2H]	10 mM
3	sodium chloride	natural abundance	300 mM
4	zinc sulphate	natural abundance	10 uM
5	DTT	[U-100% 2H]	10 mM
6	benzamidine	natural abundance	10 mM
7	inhibitor cocktail	natural abundance
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

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

#	Name	Isotope labeling	Concentration
10	ec0544	[U-7% 13C; U-100% 15N]	0.5 mM
11	TRIS	[U-100% 2H]	10 mM
12	sodium chloride	natural abundance	300 mM
13	zinc sulphate	natural abundance	10 uM
14	DTT	[U-100% 2H]	10 mM
15	benzamidine	natural abundance	10 mM
16	inhibitor cocktail	natural abundance	1 na
17	H2O	natural abundance	90 %
18	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: -0.11 ppm, Outliers: 2 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: -0.11 ppm, Outliers: 2 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: 1 Detail

LACS Plot; CO

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: -0.21 ppm, Outliers: 4 Detail

Protein Blocks Logo

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

Release date

2010-06-23

Citation

Solution structure of Enzyme IIB subunit of PTS system from Escherichia coli K12. Northeast Structural Genomics Consortium target ER315/Ontario Center for Structural Proteomics target ec0544
Wu, B., Yee, A., Gutmanas, A., Semest, A., Arrowsmith, C.H.
Not known

Related entities 1. ec0544, : 1 : 2 : 1 : 27 entities Detail

Experiments performed 10 experiments Detail

1 3D HNCO