BMRB Entry 15542

Name: SOLUTION NMR STRUCTURE OF UNCHARACTERIZED LIPOPROTEIN yajI FROM Escherichia coli: NORTHEAST STRUCTURAL GENOMICS TARGET ER540
Published: 2007-11-09

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PDB ID: 2jwy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15542
MolProbity Validation Chart

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

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Title:

SOLUTION NMR STRUCTURE OF UNCHARACTERIZED LIPOPROTEIN yajI FROM Escherichia coli: NORTHEAST STRUCTURAL GENOMICS TARGET ER540

Deposition date:

2007-10-31

Original release date:

2007-11-09

Authors:

Liu, Gaohua; Xiao, Rong; Chen, Chen; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation:

Citation: Liu, Gaohua; Xiao, Rong; Swapna, G.V.T; Acton, Thomas; Montelione, Gaetano. "SOLUTION NMR STRUCTURE OF UNCHARACTERIZED LIPOPROTEIN yajI FROM Escherichia coli" .

Assembly members:

Assembly members:
Lipoprotein_yajI, polymer, 168 residues, 18603.127 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Lipoprotein_yajI: MVQQSEVRQMKHSVSTLNQE MTQLNQETVKITQQNRLNAK SSSGVYLLPGAKTPARLESQ IGTLRMSLVNITPDADGTTL TLRIQGESNDPLPAFSGTVE YGQIQGTIDNFQEINVQNQL INAPASVLAPSDVDIPLQLK GISVDQLGFVRIHDIQPVMQ LEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	535
15N chemical shifts	182
1H chemical shifts	1169

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 168 residues - 18603.127 Da.

1

MET

VAL

GLN

SER

GLU

VAL

ARG

GLN

MET

2

LYS

HIS

SER

VAL

SER

THR

LEU

ASN

GLN

GLU

3

MET

THR

GLN

LEU

ASN

GLN

GLU

THR

VAL

LYS

4

ILE

THR

GLN

ASN

ARG

LEU

ASN

ALA

LYS

5

SER

GLY

VAL

TYR

LEU

PRO

GLY

6

ALA

LYS

THR

PRO

ALA

ARG

LEU

GLU

SER

GLN

7

ILE

GLY

THR

LEU

ARG

MET

SER

LEU

VAL

ASN

8

ILE

THR

PRO

ASP

ALA

ASP

GLY

THR

LEU

9

THR

LEU

ARG

ILE

GLN

GLY

GLU

SER

ASN

ASP

10

PRO

LEU

PRO

ALA

PHE

SER

GLY

THR

VAL

GLU

11

TYR

GLY

GLN

ILE

GLN

GLY

THR

ILE

ASP

ASN

12

PHE

GLN

GLU

ILE

ASN

VAL

GLN

ASN

GLN

LEU

13

ILE

ASN

ALA

PRO

ALA

SER

VAL

LEU

ALA

PRO

14

SER

ASP

VAL

ASP

ILE

PRO

LEU

GLN

LEU

LYS

15

GLY

ILE

SER

VAL

ASP

GLN

LEU

GLY

PHE

VAL

16

ARG

ILE

HIS

ASP

ILE

GLN

PRO

VAL

MET

GLN

17

LEU

GLU

HIS

Samples:

sample_1: Lipoprotein yajI, [U-100% 13C; U-100% 15N], 1.77 mM

sample_2: Lipoprotein yajI, [U-10% 13C; U-99% 15N], 0.77 mM

sample_conditions_1: ionic strength: 0 M; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D SIMULTANEOUS CN-NOESY,	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
4,3D GFT CABCACONHN	sample_1	isotropic	sample_conditions_1
4,3D GFT HNNCABCA	sample_1	isotropic	sample_conditions_1
4,3D GFT HCCH	sample_1	isotropic	sample_conditions_1
4,3D GFT HABCABCONHN	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

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

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - data analysis

XEASY v1.3.1, Bartels et al. - data analysis

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

TOPSPIN v1.3, Bruker Biospin - collection

VNMR, Varian - collection

AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz
Varian INOVA 600 MHz

PDB	2JWY
DBJ	BAB33888 BAE76192 BAG75958 BAI23783 BAI29254
EMBL	CAP74946 CAQ30881 CAQ97284 CAR01755 CAR06645
GB	AAA74983 AAB40168 AAC73515 AAG54761 AAN42007
REF	NP_308492 NP_414946 NP_706300 WP_000308223 WP_000374632
SP	P46122
AlphaFold	P46122