BMRB Entry 17900

Name: Solution NMR Structure of BfR322 from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR322
Published: 2011-09-19

Click here to enlarge.

PDB ID: 2lio
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17900
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Solution NMR Structure of BfR322 from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR322

Deposition date:

2011-08-29

Original release date:

2011-09-19

Authors:

Mills, Jeffrey; Lee, Hsiau; Lee, Dan; Ciccosanti, Colleen; Janjua, Haleema; Nair, R.; Rost, B.; Acton, T.; Xiao, R.; Everett, J.; Prestegard, J.; Montelione, G.; Szyperski, Thomas

Citation:

Citation: Mills, Jeffrey; Lee, Hsiau; Lee, Dan; Ciccosanti, Colleen; Janjua, Haleema; Nair, R.; Rost, B.; Acton, T.; Xiao, R.; Everett, J.; Prestegard, J.; Montelione, G.; Szyperski, Thomas. "Northeast Structural Genomics Consortium Target BfR322" To be published ., .-..

Assembly members:

Assembly members:
BfR322, polymer, 136 residues, 16122.099 Da.

Natural source:

Natural source: Common Name: Bacteroides fragilis Taxonomy ID: 817 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacteroides fragilis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BfR322: MKKEKIHLEYLLNATSKNIL WSAISTPTGLEDWFADKVVS DDKTVTFCWGKTEQRQAGIV AIRAYSFIRFHWLDDENERD YFEIKMSYNELTGDYVLEIT DFSEADEADDLKELWDSQVS KLRRTCGFLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	526
15N chemical shifts	130
1H chemical shifts	836

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BfR322	1

Entities:

Entity 1, BfR322 136 residues - 16122.099 Da.

1

MET

LYS

GLU

LYS

ILE

HIS

LEU

GLU

TYR

2

LEU

ASN

ALA

THR

SER

LYS

ASN

ILE

LEU

3

TRP

SER

ALA

ILE

SER

THR

PRO

THR

GLY

LEU

4

GLU

ASP

TRP

PHE

ALA

ASP

LYS

VAL

SER

5

ASP

LYS

THR

VAL

THR

PHE

CYS

TRP

GLY

6

LYS

THR

GLU

GLN

ARG

GLN

ALA

GLY

ILE

VAL

7

ALA

ILE

ARG

ALA

TYR

SER

PHE

ILE

ARG

PHE

8

HIS

TRP

LEU

ASP

GLU

ASN

GLU

ARG

ASP

9

TYR

PHE

GLU

ILE

LYS

MET

SER

TYR

ASN

GLU

10

LEU

THR

GLY

ASP

TYR

VAL

LEU

GLU

ILE

THR

11

ASP

PHE

SER

GLU

ALA

ASP

GLU

ALA

ASP

12

LEU

LYS

GLU

LEU

TRP

ASP

SER

GLN

VAL

SER

13

LYS

LEU

ARG

THR

CYS

GLY

PHE

LEU

GLU

14

HIS

Samples:

NC: BfR322, [U-100% 13C; U-100% 15N], 0.65 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; H2O 95%; D2O 5%

NC5: BfR322, [U-5% 13C; U-100% 15N], 0.86 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; H2O 95%; D2O 5%

NC5aniso: BfR322, [U-10% 13C; U-100% 15N], 0.86 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; phage 12.5 mg/ml; H2O 95%; D2O 5%

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC	isotropic	sample_conditions_1
3D HNCO	NC	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC	isotropic	sample_conditions_1
3D HNCACB	NC	isotropic	sample_conditions_1
3D HBHA(CO)NH	NC	isotropic	sample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	NC	isotropic	sample_conditions_1
HCCH-TOCSY	NC	isotropic	sample_conditions_1
HCCH-COSY	NC	isotropic	sample_conditions_1
2D 1H-15N HSQC	NC5aniso	anisotropic	sample_conditions_1
2D 1H-13C HSQC	NC5	isotropic	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis

PROSA, Guntert - processing

CARA, Keller et al. - chemical shift assignment, data analysis, peak picking

VNMRJ, Varian - collection

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz

PDB	2LIO
DBJ	BAD47341
EMBL	CAH06297 CBW21179 CDD39276 CUA17179
GB	AKA54061 EES88119 EEZ26067 EGN01295 EIK38783
REF	WP_005784512 WP_008658377 WP_032593332 YP_097875