BMRB Entry 16652

Name: Solution NMR Structure of asl3597 from Nostoc sp. PCC7120. Northeast Structural Genomics Consortium Target ID Nsr244.
Published: 2011-11-09

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PDB ID: 2krx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16652
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR Structure of asl3597 from Nostoc sp. PCC7120. Northeast Structural Genomics Consortium Target ID Nsr244.

Deposition date:

2009-12-22

Original release date:

2011-11-09

Authors:

Feldmann, Erik; Ramelot, Theresa; Yang, Yunhuang; Lee, Dan; Ciccosanti, Colleen; Janjua, Haleema; Liu, J.; Rost, Burkhard; Acton, Thomas; Xiao, R.; Everett, John; Montelione, Gaetano; Kennedy, Michael

Citation:

Citation: Feldmann, Erik; Ramelot, Theresa; Yang, Yunhuang; Lee, Dan; Ciccosanti, Colleen; Janjua, Haleema; Liu, J.; Rost, Burkhard; Swapna, Thomas; Acton, Thomas; Xiao, R.; Everett, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of asl3597 from Nostoc sp. PCC7120. Northeast Structural Genomics Consortium target NsR244." .

Assembly members:

Assembly members:
asl3597, polymer, 94 residues, 10974 Da.

Natural source:

Natural source: Common Name: Nostoc sp. PCC7120 Taxonomy ID: 103690 Superkingdom: Bacteria Kingdom: not available Genus/species: Nostoc Nostoc sp. PCC7120

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Nostoc sp. PCC7120 Vector: pET21-23C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
asl3597: MPDPLMYQQDNFVVLETNQP EQFLTTIELLEKLKGELEKI SFSDLPLELQKLDSLPAQAQ HLIDTSCELDVGAGKYLQWY AVRLEKLEHHHHHH

Data sets:

assigned_chemical_shifts
- nsr244_bmrb_2.1.txt
spectral_peak_list

Data type	Count
13C chemical shifts	370
15N chemical shifts	79
1H chemical shifts	594

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	asl3597	1

Entities:

Entity 1, asl3597 94 residues - 10974 Da.

full length followed by 8 non-native C-terminal residues (LEHHHHHH)

1

MET

PRO

ASP

PRO

LEU

MET

TYR

GLN

ASP

2

ASN

PHE

VAL

LEU

GLU

THR

ASN

GLN

PRO

3

GLU

GLN

PHE

LEU

THR

ILE

GLU

LEU

4

GLU

LYS

LEU

LYS

GLY

GLU

LEU

GLU

LYS

ILE

5

SER

PHE

SER

ASP

LEU

PRO

LEU

GLU

LEU

GLN

6

LYS

LEU

ASP

SER

LEU

PRO

ALA

GLN

ALA

GLN

7

HIS

LEU

ILE

ASP

THR

SER

CYS

GLU

LEU

ASP

8

VAL

GLY

ALA

GLY

LYS

TYR

LEU

GLN

TRP

TYR

9

ALA

VAL

ARG

LEU

GLU

LYS

LEU

GLU

HIS

10

HIS

Samples:

NC_sample: entity, [U-100% 13C; U-100% 15N], 1.1 ± 0.1 mM; MES 20 ± 0.1 mM; sodium chloride 200 ± 5 mM; DTT 10 ± 0.5 mM; calcium chloride 5 ± 0.2 mM; sodium azide 0.02 ± 0.001 %

NC5_sample: entity, [U-5% 13C; U-100% 15N], 1.1 ± 0.1 mM; MES 20 ± 0.1 mM; sodium chloride 200 ± 5 mM; DTT 10 ± 0.5 mM; calcium chloride 5 ± 0.2 mM; sodium azide 0.02 ± 0.001 %

NC_sample_in_D2O: entity, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; MES 20 ± 0.1 mM; sodium chloride 200 ± 5 mM; DTT 10 ± 0.5 mM; calcium chloride 5 ± 0.2 mM; sodium azide 0.02 ± 0.001 %

sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC5_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC	NC_sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	NC_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY	NC_sample	isotropic	sample_conditions_1
4D CC NOESY	NC_sample_in_D2O	isotropic	sample_conditions_1
3D HNCO	NC_sample	isotropic	sample_conditions_1
3D HNCA	NC_sample	isotropic	sample_conditions_1
3D HNCACB	NC_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HBHA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D H(C)CH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D HN(CO)CA	NC_sample	isotropic	sample_conditions_1
3D H(C)CH COSY	NC_sample	isotropic	sample_conditions_1

Software:

NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR v6.1C, Varian - collection

TOPSPIN v2.1.3, Bruker Biospin - collection

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - data analysis

X-PLOR NIH v2.20, Schwieters, Kuszewski, Tjandra and Clore - structure solution

SPARKY v3.113, Goddard - data analysis

PSVS v1.4, Bhattacharya and Montelione - structure solution

AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz
Bruker AvanceIII 850 MHz

PDB	2KRX
DBJ	BAB75296
REF	WP_010997746