BMRB Entry 16863

Name: 1H, 13C and 15N backbone and side chain resonance assignments of the N-terminal domain of the histidine kinase inhibitor KipI from Bacillus subtilis
Published: 2010-06-15

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16863

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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:

1H, 13C and 15N backbone and side chain resonance assignments of the N-terminal domain of the histidine kinase inhibitor KipI from Bacillus subtilis

Deposition date:

2010-04-13

Original release date:

2010-06-15

Authors:

Hynson, Robert; Kwan, Ann; Jacques, David; Mackay, Joel; Trewhella, Jill

Citation:

Citation: Hynson, Robert; Kwan, Ann; Jacques, David; Mackay, Joel; Trewhella, Jill. "1H, 13C and 15N backbone and side chain resonance assignments of the N-terminal domain of the histidine kinase inhibitor KipI from Bacillus subtilis." Biomol. NMR Assignments 4, 167-169 (2010).
PubMed: 20524093

Assembly members:

Assembly members:
KipI-N, polymer, 101 residues, 11.55 Da.

Natural source:

Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
KipI-N: GSMTVRYQIEQLGDSAMMIR FGEEINEQVNGIVHAAAAYI EEQPFPGFIECIPAFTSLTV FYDMYEVYKHLPQGISSPFE SVKRDVEERLAEIAEDYEVN R

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	394
15N chemical shifts	111
1H chemical shifts	704

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KipI-N	1

Entities:

Entity 1, KipI-N 101 residues - 11.55 Da.

GS at the beginning of the sequence is the remaining part of the tag that was cleaved off.

1

GLY

SER

MET

THR

VAL

ARG

TYR

GLN

ILE

GLU

2

GLN

LEU

GLY

ASP

SER

ALA

MET

ILE

ARG

3

PHE

GLY

GLU

ILE

ASN

GLU

GLN

VAL

ASN

4

GLY

ILE

VAL

HIS

ALA

TYR

ILE

5

GLU

GLN

PRO

PHE

PRO

GLY

PHE

ILE

GLU

6

CYS

ILE

PRO

ALA

PHE

THR

SER

LEU

THR

VAL

7

PHE

TYR

ASP

MET

TYR

GLU

VAL

TYR

LYS

HIS

8

LEU

PRO

GLN

GLY

ILE

SER

PRO

PHE

GLU

9

SER

VAL

LYS

ARG

ASP

VAL

GLU

ARG

LEU

10

ALA

GLU

ILE

ALA

GLU

ASP

TYR

GLU

VAL

ASN

11

ARG

Samples:

sample_1: KipI-N, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM

sample_2: KipI-N, [U-100% 15N], 1 mM; sodium phosphate 20 mM

sample_3: KipI-N 1 mM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CC(CO)NH TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
3D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
HBCBCGCEHE	sample_1	isotropic	sample_conditions_1
HBCBCGCDHD	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

Software:

TOPSPIN v2.1-2.5, Bruker Biospin - collection, data analysis

SPARKY, Goddard - chemical shift assignment, data analysis

ARIA, Linge, O'Donoghue and Nilges - chemical shift assignment, structure solution

NMR spectrometers:

Bruker Avance 600 MHz

PDB	2KWA
DBJ	BAA07361 BAA09039 BAI83890 BAM49343 BAM56613
EMBL	CAB12216 CCU59687 CEI55532 CEJ75957 CJR85854
GB	ADV95341 AEP89488 AFI26965 AFQ56347 AGA23688
PRF	2208409M
REF	NP_388290 WP_003234420 WP_014475832 WP_014478855 WP_014662801
SP	P60495
AlphaFold	P60495