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BMRB: 15126

2OQ3

NMR assignments of the mannitol- specific cryptic phosphotransferase enzyme IIA CmtB from Escherichia coli

Authors

Jin, C., Yu, C.

Assembly

CmtB

Entity

1. CmtB (polymer, Thiol state: all free), 147 monomers, 16046.04 Da Detail

MRLSDYFPES SISVIHSAKD WQEAIDFSMV SLLDKNYISE NYIQAIKDST INNGPYYILA PGVAMPHARP ECGALKTGMS LTLLEQGVYF PGNDEPIKLL IGLSAADADS HIGAIQALSE LLCEEEILEQ LLTASSEKQL ADIISRG

Formula weight

16046.04 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.7 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.7 % (1498 of 1670)	88.6 % (763 of 861)	89.2 % (586 of 657)	98.0 % (149 of 152)
Backbone	96.9 % (841 of 868)	98.3 % (291 of 296)	94.9 % (410 of 432)	100.0 % (140 of 140)
Sidechain	84.5 % (794 of 940)	83.5 % (472 of 565)	86.2 % (313 of 363)	75.0 % (9 of 12)
Aromatic	29.4 % (30 of 102)	31.4 % (16 of 51)	26.0 % (13 of 50)	100.0 % (1 of 1)
Methyl	92.4 % (170 of 184)	93.5 % (86 of 92)	91.3 % (84 of 92)

1. CmtB

MRLSDYFPES SISVIHSAKD WQEAIDFSMV SLLDKNYISE NYIQAIKDST INNGPYYILA PGVAMPHARP ECGALKTGMS LTLLEQGVYF PGNDEPIKLL IGLSAADADS HIGAIQALSE LLCEEEILEQ LLTASSEKQL ADIISRG

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	CmtB	[U-13C; U-15N]	1.0 mM
2	sodium chloride	natural abundance	30 mM
3	sodium phosphate	natural abundance	30 mM
4	D2O	natural abundance	10 %
5	DSS	natural abundance	0.01 %
6	DTT	natural abundance	20 mM
7	sodium azide	natural abundance	0.01 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	CmtB	[U-15N]	1 mM
9	sodium chloride	natural abundance	30 mM
10	sodium phosphate	natural abundance	30 mM
11	D2O	natural abundance	10 %
12	DSS	natural abundance	0.01 %
13	DTT	natural abundance	20 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	0.101329

Referencing offset: -0.08 ppm, Outliers: 3 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	0.101329

Referencing offset: -0.08 ppm, Outliers: 3 Detail

LACS Plot; HA

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	0.101329

Referencing offset: -0.07 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	0.101329

Referencing offset: 0.14 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 2OQ3, Strand ID: A Detail

Release date

2007-10-16

Citation

Solution structure of the cryptic mannitol-specific phosphotransferase enzyme IIA CmtB from Escherichia coli
Yu, C., Li, Y., Xia, B., Jin, C.
Biochem. Biophys. Res. Commun. (2007), 362, 1001-1006, PubMed 17803963 , DOI 10.1016/j.bbrc.2007.08.102 , Abstract