BMRB Entry 6174

Name: Backbone and sidechain 1H, 13C and 15N chemical shift assignments of the ThKaiA180C-CIIABD complex
Published: 2004-09-07

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6174

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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:

Backbone and sidechain 1H, 13C and 15N chemical shift assignments of the ThKaiA180C-CIIABD complex

Deposition date:

2004-04-02

Original release date:

2004-09-07

Authors:

Vakonakis, Ioannis; LiWang, Andy

Citation:

Citation: Vakonakis, Ioannis; LiWang, Andy. "Structure of the C-terminal domain of the clock protein KaiA in complex with a KaiC-derived peptide: Implications for KaiC regulation" Proc. Natl. Acad. Sci. U.S.A. 101, 10925-10930 (2004).
PubMed: 15256595

Assembly members:

Assembly members:
ThKaiA180C, polymer, 107 residues, Formula weight is not available
CIIABD, polymer, 34 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Thermosynechococcus elongatus Taxonomy ID: 146786 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermosynechococcus elongatus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ThKaiA180C: AMARMSPADKRKLLDELRSI YRTIVLEYFNTDAKVNERID EFVSKAFFADISVSQVLEIH VELMDTFSKQLKLEGRSEDI LLDYRLTLIDVIAHLCEMYR RSIPREV
CIIABD: AMAGIISGTPTRISVDEKTE LARIAKGMQDLESE

Data sets:

assigned_chemical_shifts
- shift_set_1
- shift_set_2

Data type	Count
13C chemical shifts	484
15N chemical shifts	127
1H chemical shifts	995

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C-terminal domain of KaiA subunit 1	1
2	C-terminal domain of KaiA subunit 2	1
3	C-terminal domain of KaiA subunit 3	2
4	C-terminal domain of KaiA subunit 4	2

Entities:

Entity 1, C-terminal domain of KaiA subunit 1 107 residues - Formula weight is not available

1

ALA

MET

ALA

ARG

MET

SER

PRO

ALA

ASP

LYS

2

ARG

LYS

LEU

ASP

GLU

LEU

ARG

SER

ILE

3

TYR

ARG

THR

ILE

VAL

LEU

GLU

TYR

PHE

ASN

4

THR

ASP

ALA

LYS

VAL

ASN

GLU

ARG

ILE

ASP

5

GLU

PHE

VAL

SER

LYS

ALA

PHE

ALA

ASP

6

ILE

SER

VAL

SER

GLN

VAL

LEU

GLU

ILE

HIS

7

VAL

GLU

LEU

MET

ASP

THR

PHE

SER

LYS

GLN

8

LEU

LYS

LEU

GLU

GLY

ARG

SER

GLU

ASP

ILE

9

LEU

ASP

TYR

ARG

LEU

THR

LEU

ILE

ASP

10

VAL

ILE

ALA

HIS

LEU

CYS

GLU

MET

TYR

ARG

11

ARG

SER

ILE

PRO

ARG

GLU

VAL

Entity 2, C-terminal domain of KaiA subunit 3 34 residues - Formula weight is not available

1

ALA

MET

ALA

GLY

ILE

SER

GLY

THR

PRO

2

THR

ARG

ILE

SER

VAL

ASP

GLU

LYS

THR

GLU

3

LEU

ALA

ARG

ILE

ALA

LYS

GLY

MET

GLN

ASP

4

LEU

GLU

SER

GLU

Samples:

sample_1: ThKaiA180C, [U-13C; U-15N], 1.1 mM; CIIABD 1.1 mM; NaCl 20 mM; NaH2PO4 20 mM

sample_2: ThKaiA180C 1.1 mM; CIIABD, [U-13C; U-15N], 1.1 mM; NaCl 20 mM; NaH2PO4 20 mM

cond_set_1: ionic strength: 0.12 M; pH: 7; temperature: 323 K

Experiments:

Name	Sample	Sample state	Sample conditions
CBCA(CO)NH	not available	not available	cond_set_1
CBCANH	not available	not available	cond_set_1
HBHA(CO)NH	not available	not available	cond_set_1
HC(C)H-COSY	not available	not available	cond_set_1

Software:

VNMR v6.1C - Data acquisition

NMRPipe v2.1 - Data processing

PIPP v4.2.6 - Data analysis

NMR spectrometers:

Varian Inova 600 MHz
Varian Inova 500 MHz

BMRB	5824 5825
PDB	1Q6A 1Q6B 1SUY 1SV1 1V2Z 1SUY 1SV1
DBJ	BAB85983 BAC08033 BAD21221 BAB85985 BAC08035 BAD21223
REF	NP_681271 NP_681273
SWISS-PROT	Q6L8K1 Q79V62 Q6L8J9 Q79V60