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BMRB: 15848

2K5T

Solution NMR Structure of Putative N-Acetyl Transferase YhhK from E. coli Bound to Coenzyme A: Northeast Structural Genomics Consortium Target ET106

Authors

Cort, J.R., Yee, A., Arrowsmith, C.H., Kennedy, M.A.

Assembly

YhhK CoA

Entity

1. YhhK (polymer, Thiol state: all free), 128 monomers, 14592.45 Da Detail

MKLTIIRLEK FSDQDRIDLQ KIWPEYSPSS LQVDDNHRIY AARFNERLLA AVRVTLSGTE GALDSLRVRE VTRRRGVGQY LLEEVLRNNP GVSCWWMADA GVEDRGVMTA FMQALGFTTQ QGGWEKCG

2. COENZYME A (non-polymer), 767.534 Da

Total weight

15359.984 Da

Max. entity weight

14592.45 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 80.3 %, Completeness (bb): 86.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.3 % (1199 of 1494)	84.2 % (655 of 778)	71.9 % (414 of 576)	92.9 % (130 of 140)
Backbone	86.0 % (655 of 762)	99.2 % (262 of 264)	71.8 % (268 of 373)	100.0 % (125 of 125)
Sidechain	77.9 % (661 of 849)	76.5 % (393 of 514)	82.2 % (263 of 320)	33.3 % (5 of 15)
Aromatic	60.3 % (70 of 116)	60.3 % (35 of 58)	57.4 % (31 of 54)	100.0 % (4 of 4)
Methyl	100.0 % (144 of 144)	100.0 % (72 of 72)	100.0 % (72 of 72)

1. YhhK

MKLTIIRLEK FSDQDRIDLQ KIWPEYSPSS LQVDDNHRIY AARFNERLLA AVRVTLSGTE GALDSLRVRE VTRRRGVGQY LLEEVLRNNP GVSCWWMADA GVEDRGVMTA FMQALGFTTQ QGGWEKCG

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7

#	Name	Isotope labeling	Concentration
1	YhhK	[U-100% 13C; U-100% 15N]	0.6 (±0.2) mM
2	Coenzyme A	natural abundance	5 (±1.0) mM
3	D2O	natural abundance	7 %
4	sodium chloride	natural abundance	300 (±5.0) mM
5	TRIS	natural abundance	25 (±1.0) mM
6	DTT	natural abundance	5 (±0.1) mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7

#	Name	Isotope labeling	Concentration
7	YhhK	[U-100% 13C; U-100% 15N]	0.6 (±0.2) mM
8	Coenzyme A	natural abundance	5 (±1.0) mM
9	D2O	natural abundance	100 %
10	sodium chloride	natural abundance	300 (±5.0) mM
11	TRIS	natural abundance	25 (±1.0) mM
12	DTT	natural abundance	5 (±0.1) 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 carbons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.25 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 carbons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.25 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 carbons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

Release date

2008-09-18

Citation

Solution NMR Structure of Putative N-Acetyl Transferase YhhK from E. coli Bound to Coenzyme A
Cort, J.R., Yee, A., Arrowsmith, C.H., Kennedy, M.A.
Not known

Related entities 1. YhhK, : 1 : 6 : 2 entities Detail

Interaction partners 1. YhhK, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC