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BMRB: 25381

2MX1

Structure of the E. coli threonylcarbamoyl-AMP synthase TsaC

Authors

Harris, K.A., Bobay, B.G., Sarachan, K.L., Sims, A.F., Bilbille, Y., Deutsch, C., Iwata-Reuyl, D., Agris, P.F.

Assembly

E. coli threonylcarbamoyl-AMP synthase TsaC

Entity

1. E. coli threonylcarbamoyl-AMP synthase TsaC (polymer, Thiol state: all free), 189 monomers, 20636.28 Da Detail

NNNLQRDAIA AAIDVLNEER VIAYPTEAVF GVGCDPDSET AVMRLLELKQ RPVDKGLILI AANYEQLKPY IDDTMLTDVQ RETIFSRWPG PVTFVFPAPA TTPRWLTGRF DSLAVRVTDH PLVVALCQAY GKPLVSTSAN LSGLPPCRTV DEVRAQFGAA FPVVPGETGG RLNPSEIRDA LTGELFRQG

Formula weight

20636.28 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 82.9 %, Completeness (bb): 96.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.9 % (1774 of 2141)	79.7 % (881 of 1105)	85.1 % (721 of 847)	91.0 % (172 of 189)
Backbone	96.6 % (1065 of 1102)	95.2 % (357 of 375)	97.5 % (540 of 554)	97.1 % (168 of 173)
Sidechain	72.4 % (880 of 1215)	71.8 % (524 of 730)	75.3 % (353 of 469)	18.8 % (3 of 16)
Aromatic	1.4 % (2 of 140)	1.4 % (1 of 70)	1.5 % (1 of 68)	0.0 % (0 of 2)
Methyl	90.2 % (222 of 246)	93.5 % (115 of 123)	87.0 % (107 of 123)

1. entity

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	Recombinant TsaC protein	[U-100% 13C; U-100% 15N]	1 mM
2	D2O	[U-100% 2H]	10 %
3	potassium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
7	Recombinant TsaC protein	[U-100% 13C; U-100% 15N]	1 mM
8	D2O	[U-100% 2H]	10 %
9	potassium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	Pf1 bacteriophage	natural abundance	12 mg/mL
12	H2O	natural abundance	90 %
13	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.77 ppm	internal	indirect	0.25144
¹H	water	protons	4.77 ppm	internal	direct	1.0
¹⁵N	water	protons	4.77 ppm	internal	indirect	0.10132

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.77 ppm	internal	indirect	0.25144
¹H	water	protons	4.77 ppm	internal	direct	1.0
¹⁵N	water	protons	4.77 ppm	internal	indirect	0.10132

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.77 ppm	internal	indirect	0.25144
¹H	water	protons	4.77 ppm	internal	direct	1.0
¹⁵N	water	protons	4.77 ppm	internal	indirect	0.10132

Referencing offset: 0.01 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.77 ppm	internal	indirect	0.25144
¹H	water	protons	4.77 ppm	internal	direct	1.0
¹⁵N	water	protons	4.77 ppm	internal	indirect	0.10132

Referencing offset: 1.47 ppm, Outliers: 6 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MX1, Strand ID: A Detail

Release date

2015-06-14

Citation

NMR-based Structural Analysis of Threonylcarbamoyl-AMP Synthase and Its Substrate Interactions
Harris, K.A., Bobay, B.G., Sarachan, K.L., Sims, A.F., Bilbille, Y., Deutsch, C., Iwata-Reuyl, D., Agris, P.F.
J. Biol. Chem. (2015), 290, 20032-20043, PubMed 26060251 , DOI 10.1074/jbc.M114.631242 , Abstract

Related entities 1. E. coli threonylcarbamoyl-AMP synthase TsaC, : 1 : 2 : 5 : 105 entities Detail

Interaction partners 1. E. coli threonylcarbamoyl-AMP synthase TsaC, : 5 interactors Detail

More details for 5 interactors identified by 2 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC