BMRB Entry 6692

Name: 1H, 13C, and 15N Chemical Shift Assignments for AppA 5-125
Published: 2007-02-05

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PDB ID: 2bun
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6692
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C, and 15N Chemical Shift Assignments for AppA 5-125

Deposition date:

2005-06-16

Original release date:

2007-02-05

Authors:

Grinstead, Jeffrey; Hsu, Shang-Te; Laan, Wouter; Bonvin, Alexandre; Hellingwerf, Klaas; Boelens, Rolf; Kaptein, Rob

Citation:

Citation: Grinstead, Jeffrey; Hsu, Shang-Te; Laan, Wouter; Bonvin, Alexandre; Hellingwerf, Klaas; Boelens, Rolf; Kaptein, Robert. "The Solution Structure of the AppA BLUF Domain: Insight into the Mechanism of Light-Induced Signaling" Chem. Biochem. 7, 187-193 (2006).
PubMed: 16323221

Assembly members:

Assembly members:
AppA, polymer, 121 residues, Formula weight is not available
FAD, non-polymer, 785.550 Da.

Natural source:

Natural source: Common Name: Rhodobacter sphaeroides Taxonomy ID: 1063 Superkingdom: Eubacteria Kingdom: Not applicable Genus/species: Rhodobacter sphaeroides

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AppA: LEADVTMTGSDLVSCCYRSL AAPDLTLRDLLDIVETSQAH NARAQLTGALFYSQGVFFQW LEGHPAAVAEVMSHIQRDRR HSNVEILAEESIAKRRFAGW HMQLSCSEADMRSLGLAESR Q

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	349
15N chemical shifts	128
1H chemical shifts	798

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AppA	1
2	FAD	2

Entities:

Entity 1, AppA 121 residues - Formula weight is not available

1

LEU

GLU

ALA

ASP

VAL

THR

MET

THR

GLY

SER

2

ASP

LEU

VAL

SER

CYS

TYR

ARG

SER

LEU

3

ALA

PRO

ASP

LEU

THR

LEU

ARG

ASP

LEU

4

LEU

ASP

ILE

VAL

GLU

THR

SER

GLN

ALA

HIS

5

ASN

ALA

ARG

ALA

GLN

LEU

THR

GLY

ALA

LEU

6

PHE

TYR

SER

GLN

GLY

VAL

PHE

GLN

TRP

7

LEU

GLU

GLY

HIS

PRO

ALA

VAL

ALA

GLU

8

VAL

MET

SER

HIS

ILE

GLN

ARG

ASP

ARG

9

HIS

SER

ASN

VAL

GLU

ILE

LEU

ALA

GLU

10

SER

ILE

ALA

LYS

ARG

PHE

ALA

GLY

TRP

11

HIS

MET

GLN

LEU

SER

CYS

SER

GLU

ALA

ASP

12

MET

ARG

SER

LEU

GLY

LEU

ALA

GLU

SER

ARG

13

GLN

Entity 2, FAD - C27 H33 N9 O15 P2 - 785.550 Da.

1

FAD

Samples:

sample_1: AppA, [U-13C; U-15N], 1.7 mM; FAD 1.7 mM

sample_2: AppA, [U-15N], 1.7 mM; FAD mM

conditions_1: pH: 7.4; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N HSQC	not available	not available	conditions_1
triple resonance	not available	not available	conditions_1
hCCH-COSY	not available	not available	conditions_1
HcCH-TOCSY	not available	not available	conditions_1

Software:

No software information available

NMR spectrometers:

Bruker AVANCE 600 MHz
Bruker AVANCE 700 MHz

PDB	2BUN 4HH1
GB	AAA81591 ABA77707 ABN75335 ACM02822 EGJ23059
REF	WP_002722303 WP_009564586 WP_011336839 WP_011840246 WP_015921786