BMRB Entry 16388

Name: NMR Solution structure of a diflavin flavoprotein A3 from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR431C
Published: 2009-08-06

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PDB ID: 2klb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16388
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR Solution structure of a diflavin flavoprotein A3 from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR431C

Deposition date:

2009-06-30

Original release date:

2009-08-06

Authors:

Swapna, G.V.T.; Ciccosanti, Colleen; Wang, Dongyan; Jiang, Mei; Xiao, Rong; Acton, Thomas; Everett, John; Nair, R.; Montelione, Gaetano

Citation:

Citation: Swapna, G.V.T.; Ciccosanti, Colleen; Wang, Dongyan; Jiang, Mei; Xiao, Rong; Acton, Thomas; Everett, John; Nair, R.; Montelione, Gaetano. "NMR Solution structure of a diflavin flavoprotein A3 from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR431C" To be Published ., .-..

Assembly members:

Assembly members:
NsR431C, polymer, 154 residues, 16475.629 Da.

Natural source:

Natural source: Common Name: Nostoc sp. PCC 7120 Taxonomy ID: 103690 Superkingdom: Bacteria Kingdom: not available Genus/species: Nostoc sp. PCC 7120

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: BL21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NsR431C: SIGVFYVSEYGYSDRLAQAI INGITKTGVGVDVVDLGAAV DLQELRELVGRCTGLVIGMS PAASAASIQGALSTILGSVN EKQAVGIFETGGGDDEPIDP LLSKFRNLGLTTAFPAIRIK QTPTENTYKLCEEAGTDLGQ WVTRDRLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	612
15N chemical shifts	154
1H chemical shifts	1014

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NsR431C	1

Entities:

Entity 1, NsR431C 154 residues - 16475.629 Da.

1

SER

ILE

GLY

VAL

PHE

TYR

VAL

SER

GLU

TYR

2

GLY

TYR

SER

ASP

ARG

LEU

ALA

GLN

ALA

ILE

3

ILE

ASN

GLY

ILE

THR

LYS

THR

GLY

VAL

GLY

4

VAL

ASP

VAL

ASP

LEU

GLY

ALA

VAL

5

ASP

LEU

GLN

GLU

LEU

ARG

GLU

LEU

VAL

GLY

6

ARG

CYS

THR

GLY

LEU

VAL

ILE

GLY

MET

SER

7

PRO

ALA

SER

ALA

SER

ILE

GLN

GLY

8

ALA

LEU

SER

THR

ILE

LEU

GLY

SER

VAL

ASN

9

GLU

LYS

GLN

ALA

VAL

GLY

ILE

PHE

GLU

THR

10

GLY

ASP

GLU

PRO

ILE

ASP

PRO

11

LEU

SER

LYS

PHE

ARG

ASN

LEU

GLY

LEU

12

THR

ALA

PHE

PRO

ALA

ILE

ARG

ILE

LYS

13

GLN

THR

PRO

THR

GLU

ASN

THR

TYR

LYS

LEU

14

CYS

GLU

ALA

GLY

THR

ASP

LEU

GLY

GLN

15

TRP

VAL

THR

ARG

ASP

ARG

LEU

GLU

HIS

16

HIS

Samples:

sample_1: NsR431C, [U-100% 13C; U-100% 15N], 1.18 ± 0.2 mM; DTT 10 mM; DSS 50 uM; NaN3 0.02%; NaCl 200 mM; CaCl2 5 mM; MES 20 mM; H2O 90%; D2O 10%

sample_2: NsR431C, [U-100% 13C; U-100% 15N], 1.18 ± 0.2 mM; DTT 10 mM; DSS 50 uM; NaN3 0.02%; NaCl 200 mM; CaCl2 5 mM; MES 20 mM; D2O 100%

sample_3: NsR431C, [U-10% 13C; U-100% 15N], 1.18 ± 0.2 mM; DTT 10 mM; DSS 50 uM; NaN3 0.02%; NaCl 200 mM; CaCl2 5 mM; MES 20 mM; D2O 100%

sample_conditions_1: ionic strength: 205 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, structure solution

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - chemical shift assignment, structure solution

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution

CNS v2.0.6, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2KLB 3FNI
DBJ	BAB75594
REF	WP_010998036
SP	Q8YQD8
AlphaFold	Q8YQD8