BMRB Entry 6104

Name: Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha
Published: 2005-03-01

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PDB ID: 1s6i
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6104
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha

Deposition date:

2004-02-19

Original release date:

2005-03-01

Authors:

Weljie, A.; Vogel, H.

Citation:

Citation: Weljie, A.; Vogel, H.. "Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha" J. Biol. Chem. 279, 35494-35502 (2004).
PubMed: 15155727

Assembly members:

Assembly members:
Calcium-dependent protein kinase SK5, polymer, 188 residues, 40.078 Da.
CA, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: soybean Taxonomy ID: 3847 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Glycine max

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PT7-7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Calcium-dependent protein kinase SK5: AERLSEEEIGGLKELFKMID TDNSGTITFDELKDGLKRVG SELMESEIKDLMDAADIDKS GTIDYGEFIAATVHLNKLER EENLVSAFSYFDKDGSGYIT LDEIQQACKDFGLDDIHIDD MIKEIDQDNDGQIDYGEFAA MMRKRKGNGGIGRRTMRKTL NLRDALGLVDNGSNQVIEGY FKHHHHHH

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
15N chemical shifts	157
1H chemical shifts	891
13C chemical shifts	531

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Calcium-dependent protein kinase SK5	1
2	CALCIUM (II) ION 1	2
3	CALCIUM (II) ION 2	2
4	CALCIUM (II) ION 3	2
5	CALCIUM (II) ION 4	2

Entities:

Entity 1, Calcium-dependent protein kinase SK5 188 residues - 40.078 Da.

1

ALA

GLU

ARG

LEU

SER

GLU

ILE

GLY

2

GLY

LEU

LYS

GLU

LEU

PHE

LYS

MET

ILE

ASP

3

THR

ASP

ASN

SER

GLY

THR

ILE

THR

PHE

ASP

4

GLU

LEU

LYS

ASP

GLY

LEU

LYS

ARG

VAL

GLY

5

SER

GLU

LEU

MET

GLU

SER

GLU

ILE

LYS

ASP

6

LEU

MET

ASP

ALA

ASP

ILE

ASP

LYS

SER

7

GLY

THR

ILE

ASP

TYR

GLY

GLU

PHE

ILE

ALA

8

ALA

THR

VAL

HIS

LEU

ASN

LYS

LEU

GLU

ARG

9

GLU

ASN

LEU

VAL

SER

ALA

PHE

SER

TYR

10

PHE

ASP

LYS

ASP

GLY

SER

GLY

TYR

ILE

THR

11

LEU

ASP

GLU

ILE

GLN

ALA

CYS

LYS

ASP

12

PHE

GLY

LEU

ASP

ILE

HIS

ILE

ASP

13

MET

ILE

LYS

GLU

ILE

ASP

GLN

ASP

ASN

ASP

14

GLY

GLN

ILE

ASP

TYR

GLY

GLU

PHE

ALA

15

MET

ARG

LYS

ARG

LYS

GLY

ASN

GLY

16

ILE

GLY

ARG

THR

MET

ARG

LYS

THR

LEU

17

ASN

LEU

ARG

ASP

ALA

LEU

GLY

LEU

VAL

ASP

18

ASN

GLY

SER

ASN

GLN

VAL

ILE

GLU

GLY

TYR

19

PHE

LYS

HIS

Entity 2, CALCIUM (II) ION 1 - Ca - 40.078 Da.

1

CA

Samples:

sample_1: Calcium-dependent protein kinase SK5, [U-15N; U-13C], 0.8 mM; unlabelled JD peptide 0.9 mM; H2-Imidazole 50 mM; NaCl 150 mM; CaCl2 10 mM; H2O 95%; D2O 5%

sample_2: Calcium-dependent protein kinase SK5, [U-15N; U-13C], 0.5 mM; unlabelled JD peptide 0.6 mM; H2-Imidazole 50 mM; NaCl 200 mM; CaCl2 10 mM; H2O 95%; D2O 5%

sample_3: Calcium-dependent protein kinase SK5, [U-15N; U-13C], 0.4 mM; unlabelled JD peptide 0.5 mM; H2-Imidazole 50 mM; NaCl 200 mM; CaCl2 10 mM; H2O 95%; D2O 5%

sample_cond_1: pH: 7.3; temperature: 313 K; ionic strength: 260 mM; pressure: 1 atm

sample_cond_2: pH: 7.3; temperature: 313 K; ionic strength: 210 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
3D 13C-separated NOESY	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available

Software:

XWINNMR v2.6 - collection

NMRPipe v2.1 - processing

NMRView v5.04 - data analysis

CNS v1.1 - structure solution, refinement

ARIA v1.2 - iterative matrix relaxation

VNMR vunknown - collection

NMR spectrometers:

Bruker AVANCE 500 MHz

PDB	1S6I
GB	AAB00806 AAP03012 KHN16906 KHN17436
REF	NP_001238517 NP_001241962 XP_006584637
SP	P28583
AlphaFold	P28583