BMRB Entry 15762

Name: NMR Structure of Protein yiiS from Shigella flexneri: Northeast Structural Genomics Consortium Target SfR90
Published: 2008-05-09

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PDB ID: 2k3i
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15762
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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:

NMR Structure of Protein yiiS from Shigella flexneri: Northeast Structural Genomics Consortium Target SfR90

Deposition date:

2008-05-08

Original release date:

2008-05-09

Authors:

Mills, Jeffrey; Singarapu, Kiran Kumar; Eletski, Alex; Sukumaran, Dinesh; Wang, Dongyang; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas

Citation:

Citation: Mills, Jeffrey; Singarapu, Kiran Kumar; Eletski, Alex; Sukumaran, Dinesh; Wang, Dongyang; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G. V. T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas. "NMR STRUCTURE OF PROTEIN YIIS FROM SHIGELLA FLEXNERI: NORTHEAST STRUCTURAL GENOMICS TARGET SFR90" .

Assembly members:

Assembly members:
SfR90, polymer, 109 residues, 12030.683 Da.

Natural source:

Natural source: Common Name: Shigella flexneri Taxonomy ID: 623 Superkingdom: Bacteria Kingdom: not available Genus/species: Shigella flexneri

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SfR90: MAMKDVVDKCSTKGCAIDIG TVIDNDNCTSKFSRFFATRE EAESFMTKLKELAAAASSAD EGASVAYKIKDLEGQVELDA AFTFSCQAEMIIFELSLRSL ALEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	417
15N chemical shifts	105
1H chemical shifts	683

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SfR90	1

Entities:

Entity 1, SfR90 109 residues - 12030.683 Da.

1

MET

ALA

MET

LYS

ASP

VAL

ASP

LYS

CYS

2

SER

THR

LYS

GLY

CYS

ALA

ILE

ASP

ILE

GLY

3

THR

VAL

ILE

ASP

ASN

ASP

ASN

CYS

THR

SER

4

LYS

PHE

SER

ARG

PHE

ALA

THR

ARG

GLU

5

GLU

ALA

GLU

SER

PHE

MET

THR

LYS

LEU

LYS

6

GLU

LEU

ALA

SER

ALA

ASP

7

GLU

GLY

ALA

SER

VAL

ALA

TYR

LYS

ILE

LYS

8

ASP

LEU

GLU

GLY

GLN

VAL

GLU

LEU

ASP

ALA

9

ALA

PHE

THR

PHE

SER

CYS

GLN

ALA

GLU

MET

10

ILE

PHE

GLU

LEU

SER

LEU

ARG

SER

LEU

11

ALA

LEU

GLU

HIS

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 HNCO	sample_1	isotropic	sample_conditions_1
4,3 D GFT HNNACBCA	sample_1	isotropic	sample_conditions_1
4,3 D GFT CABCACONHN	sample_1	isotropic	sample_conditions_1
4,3D HABCABCONHN	sample_1	isotropic	sample_conditions_1
4,3D GFT HCCH COSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D SimNOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1

PDB	2K3I
DBJ	BAB38270 BAE77388 BAG79735 BAI27828 BAI33302
EMBL	CAP78379 CAQ34273 CAR00898 CAR05552 CAR10594
GB	AAB03054 AAC76904 AAG59115 AAN45433 AAN83302
REF	NP_312874 NP_418357 NP_709726 WP_000655983 WP_000655984
SP	P32162
AlphaFold	P32162

BMRB Entry 15762

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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