BMRB Entry 15848

Name: Solution NMR Structure of Putative N-Acetyl Transferase YhhK from E. coli Bound to Coenzyme A: Northeast Structural Genomics Consortium Target ET106
Published: 2008-09-19

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15848

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2008-06-30

Original release date:

2008-09-19

Authors:

Cort, John; Yee, Adelinda; Arrowsmith, Cheryl; Kennedy, Michael

Citation:

Citation: Cort, John; Yee, Adelinda; Arrowsmith, Cheryl; Kennedy, Michael. "Solution NMR Structure of Putative N-Acetyl Transferase YhhK from E. coli Bound to Coenzyme A" .

Assembly members:

Assembly members:
YhhK, polymer, 128 residues, Formula weight is not available
COENZYME A, non-polymer, 767.534 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET

Entity Sequences (FASTA):

Entity Sequences (FASTA):
YhhK: MKLTIIRLEKFSDQDRIDLQ KIWPEYSPSSLQVDDNHRIY AARFNERLLAAVRVTLSGTE GALDSLRVREVTRRRGVGQY LLEEVLRNNPGVSCWWMADA GVEDRGVMTAFMQALGFTTQ QGGWEKCG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	388
15N chemical shifts	130
1H chemical shifts	795

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	YhhK	1
2	CoA	2

Entities:

Entity 1, YhhK 128 residues - Formula weight is not available

1

MET

LYS

LEU

THR

ILE

ARG

LEU

GLU

LYS

2

PHE

SER

ASP

GLN

ASP

ARG

ILE

ASP

LEU

GLN

3

LYS

ILE

TRP

PRO

GLU

TYR

SER

PRO

SER

4

LEU

GLN

VAL

ASP

ASN

HIS

ARG

ILE

TYR

5

ALA

ARG

PHE

ASN

GLU

ARG

LEU

ALA

6

ALA

VAL

ARG

VAL

THR

LEU

SER

GLY

THR

GLU

7

GLY

ALA

LEU

ASP

SER

LEU

ARG

VAL

ARG

GLU

8

VAL

THR

ARG

GLY

VAL

GLY

GLN

TYR

9

LEU

GLU

VAL

LEU

ARG

ASN

PRO

10

GLY

VAL

SER

CYS

TRP

MET

ALA

ASP

ALA

11

GLY

VAL

GLU

ASP

ARG

GLY

VAL

MET

THR

ALA

12

PHE

MET

GLN

ALA

LEU

GLY

PHE

THR

GLN

13

GLN

GLY

TRP

GLU

LYS

CYS

GLY

Entity 2, CoA - C21 H36 N7 O16 P3 S - 767.534 Da.

1

COA

Samples:

sample_1: YhhK, [U-100% 13C; U-100% 15N], 0.6 ± 0.2 mM; Coenzyme A 5 ± 1 mM; D2O 7%; sodium chloride 300 ± 5 mM; TRIS 25 ± 1 mM; DTT 5 ± .1 mM

sample_2: YhhK, [U-100% 13C; U-100% 15N], 0.6 ± 0.2 mM; Coenzyme A 5 ± 1 mM; D2O 100%; sodium chloride 300 ± 5 mM; TRIS 25 ± 1 mM; DTT 5 ± .1 mM

sample_conditions_1: ionic strength: 300 mM; pH: 7; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
4D 13C HMQC-NOESY-HMQC	sample_2	isotropic	sample_conditions_1

Software:

FELIX, Accelrys Software Inc. - chemical shift assignment, data analysis, processing

SPARKY, Goddard - chemical shift assignment, data analysis, processing

AutoStruct, Huang, Tejero, Powers and Montelione - refinement, structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz

GB	NP417916 AAB18434 AAC76484 AAG58566 AAN44936 AAP19246
SWS	P37613
PDB	2K5T 4CRY 4CRZ 4CS0
DBJ	BAB37729 BAE77834 BAG79250 BAI27716 BAI32887
EMBL	CAQ33778 CAR00402 CAR05068 CAV00264 CBJ03206
REF	NP_312333 NP_417916 NP_709229 WP_000176384 WP_000778768
SP	P37613
AlphaFold	P37613