BMRB Entry 16979

Name: 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
Published: 2010-06-24

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PDB ID: 2kyr
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16979
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2010-06-07

Original release date:

2010-06-24

Authors:

Wu, Bin; Yee, Adelinda; Gutmanas, Aleksandras; Semest, Anthony; Arrowsmith, Cheryl

Citation:

Citation: Wu, Bin; Yee, Adelinda; Gutmanas, Aleksandras; Semest, Anthony; Arrowsmith, Cheryl. "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" .

Assembly members:

Assembly members:
ec0544, polymer, 108 residues, 11745.361 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ec0544: MSKKLIALCACPMGLAHTFM AAQALEEAAVEAGYEVKIET QGADGIQNRLTAQDIAEATI IIHSVAVTPEDNERFESRDV YEITLQDAIKNAAGIIKEIE EMIASEQQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	452
15N chemical shifts	115
1H chemical shifts	762

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ec0544	1

Entities:

Entity 1, ec0544 108 residues - 11745.361 Da.

1

MET

SER

LYS

LEU

ILE

ALA

LEU

CYS

ALA

2

CYS

PRO

MET

GLY

LEU

ALA

HIS

THR

PHE

MET

3

ALA

GLN

ALA

LEU

GLU

ALA

VAL

4

GLU

ALA

GLY

TYR

GLU

VAL

LYS

ILE

GLU

THR

5

GLN

GLY

ALA

ASP

GLY

ILE

GLN

ASN

ARG

LEU

6

THR

ALA

GLN

ASP

ILE

ALA

GLU

ALA

THR

ILE

7

ILE

HIS

SER

VAL

ALA

VAL

THR

PRO

GLU

8

ASP

ASN

GLU

ARG

PHE

GLU

SER

ARG

ASP

VAL

9

TYR

GLU

ILE

THR

LEU

GLN

ASP

ALA

ILE

LYS

10

ASN

ALA

GLY

ILE

LYS

GLU

ILE

GLU

11

GLU

MET

ILE

ALA

SER

GLU

GLN

Samples:

sample_1: ec0544, [U-100% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; benzamidine 10 mM; inhibitor cocktail 1; H2O 90%; D2O 10%

sample_2: ec0544, [U-7% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 300 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	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
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1

Software:

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDDGUI v1.0, Gutmanas, Arrowsmith - processing

SPARKY v3.95, Goddard - data analysis, peak picking

FAWN v1.0, Lemak, Arrowsmith - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment

PSVS, Bhattacharya and Montelione - NMR structure quality assessment

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2KYR
DBJ	BAA16257 BAB36690 BAG78208 BAI26647 BAI31678
EMBL	CAP76866 CAQ32775 CAQ88317 CAQ99295 CAR03856
GB	AAC75446 AAG57513 AAN43961 AAN81376 AAP17772
REF	NP_311294 NP_416888 NP_708254 WP_000038452 WP_000038453
SP	P69808 P69809 P69810 Q821A9
AlphaFold	P69808 P69809 P69810 Q821A9