BMRB Entry 15791

Name: Solution NMR Structure of UPF0339 Protein SO3888 from Shewanella Oneidensis. Northeast Structural Genomics Consortium Target SoR190
Published: 2008-08-08

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PDB ID: 2k49
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15791
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR Structure of UPF0339 Protein SO3888 from Shewanella Oneidensis. Northeast Structural Genomics Consortium Target SoR190

Deposition date:

2008-05-31

Original release date:

2008-08-08

Authors:

Tang, Yuefeng; Wang, Dongyan; Nwosu, Chioma; Maglaqui, Melissa; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation:

Citation: Tang, Yuefeng; Wang, Dongyan; Nwosu, Chioma; Maglaqui, Melissa; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano. "Solution NMR Structure of UPF0339 Protein SO3888 from Shewanella Oneidensis." .
PubMed: TBA

Assembly members:

Assembly members:
SoR190, polymer, 118 residues, 13103.730 Da.

Natural source:

Natural source: Common Name: Shewanella Oneidensis Taxonomy ID: 70863 Superkingdom: Bacteria Kingdom: not available Genus/species: Shewanella Oneidensis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: SoR190-21.2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SoR190: MSGWYELSKSSNDQFKFVLK AGNGEVILTSELYTGKSGAM NGIESVQTNSPIEARYAKEV AKNDKPYFNLKAANHQIIGT SQMYSSTAARDNGIKSVMEN GKTTTIKDLTLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	471
15N chemical shifts	124
1H chemical shifts	758

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SoR190	1

Entities:

Entity 1, SoR190 118 residues - 13103.730 Da.

Residue 111-118 represent a non-native affinity purification tag (LEHHHHHH)

1

MET

SER

GLY

TRP

TYR

GLU

LEU

SER

LYS

SER

2

SER

ASN

ASP

GLN

PHE

LYS

PHE

VAL

LEU

LYS

3

ALA

GLY

ASN

GLY

GLU

VAL

ILE

LEU

THR

SER

4

GLU

LEU

TYR

THR

GLY

LYS

SER

GLY

ALA

MET

5

ASN

GLY

ILE

GLU

SER

VAL

GLN

THR

ASN

SER

6

PRO

ILE

GLU

ALA

ARG

TYR

ALA

LYS

GLU

VAL

7

ALA

LYS

ASN

ASP

LYS

PRO

TYR

PHE

ASN

LEU

8

LYS

ALA

ASN

HIS

GLN

ILE

GLY

THR

9

SER

GLN

MET

TYR

SER

THR

ALA

ARG

10

ASP

ASN

GLY

ILE

LYS

SER

VAL

MET

GLU

ASN

11

GLY

LYS

THR

ILE

LYS

ASP

LEU

THR

12

LEU

GLU

HIS

Samples:

sample_1: SoR190, [U-100% 13C; U-100% 15N], 1.3 mM; CaCl2 5 mM; sodium chloride 100 mM; ammonium acetate 20 mM; DTT 10 mM; NaN3 0.02%

sample_2: SoR190, [U-5% 13C; U-100% 15N], 1.3 mM; CaCl2 5 mM; sodium chloride 100 mM; ammonium acetate 20 mM; DTT 10 mM; NaN3 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 5.5; 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 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D simutaneous NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY_aromatic	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC_high resolution	sample_2	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection

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

SPARKY v3.110, Goddard - data analysis, peak picking

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

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

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

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

PSVS v1.3, Bhattacharya and Montelione - data analysis

PDBStat v5.0, Tejero and Montelione - PDBanalysis

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz

PDB	2K49
GB	AAN56863 ABI40290 ABK46978 ABN63039 ADV53245
REF	NP_719419 WP_011073636 WP_011847750 WP_025007863
SP	Q8EAL4
AlphaFold	Q8EAL4