BMRB Entry 16791

Name: solution NMR structure of yaiA from Escherichia Eoli. Northeast Structural Genomics Target ER244
Published: 2010-04-26

Click here to enlarge.

PDB ID: 2kvt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16791
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 yaiA from Escherichia Eoli. Northeast Structural Genomics Target ER244

Deposition date:

2010-03-28

Original release date:

2010-04-26

Authors:

Tang, Yuefeng; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Swapna, G.V.T.; Rost, Burkhard; Montelione, Geatano

Citation:

Citation: Tang, Yuefeng; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Swapna, G.V.T.; Rost, Burkhard; Montelione, Gaetano. "solution NMR structure of yaiA from Escherichia coli. Northeast Structural Genomics Target ER244" .

Assembly members:

Assembly members:
yaiA, polymer, 71 residues, 16710.875 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: ER244-21.1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
yaiA: MPTKPPYPREAYIVTIEKGK PGQTVTWYQLRADHPKPDSL ISEHPTAQEAMDAKKRYEDP DKELEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	281
15N chemical shifts	58
1H chemical shifts	445

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ER244	1

Entities:

Entity 1, ER244 71 residues - 16710.875 Da.

residue 64 to 71 represent a non-native purification tag (LEHHHHHH)

1

MET

PRO

THR

LYS

PRO

TYR

PRO

ARG

GLU

2

ALA

TYR

ILE

VAL

THR

ILE

GLU

LYS

GLY

LYS

3

PRO

GLY

GLN

THR

VAL

THR

TRP

TYR

GLN

LEU

4

ARG

ALA

ASP

HIS

PRO

LYS

PRO

ASP

SER

LEU

5

ILE

SER

GLU

HIS

PRO

THR

ALA

GLN

GLU

ALA

6

MET

ASP

ALA

LYS

ARG

TYR

GLU

ASP

PRO

7

ASP

LYS

GLU

LEU

GLU

HIS

8

HIS

Samples:

sample_2: ER244, [U-5% 13C; U-100% 15N], 1.00 mM; DTT 5 mM; sodium chloride 100 mM; TRIS 10 mM; NaN3 10 mM; H2O 95%; D2O 5%

sample_1: ER244, [U-100% 13C; U-100% 15N], 1.37 mM; DTT 5 mM; sodium chloride 100 mM; TRIS 10 mM; NaN3 10 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.1 M; pH: 7.5; pressure: 1 atm; temperature: 298 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 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 HNCA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C aliphatic NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C aromatic NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC (high resolution)	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection

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

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

CYANA v3.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

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

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

PSVS v1.4, Bhattacharya and Montelione - structure validation

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2KVT
DBJ	BAB33862 BAE76170 BAG75934 BAI23762 BAI29233
EMBL	CAP74924 CAQ30857 CAQ97261 CAR01733 CAR06622
GB	AAA83834 AAB18113 AAC73492 AAG54735 AAN41984
REF	NP_308466 NP_414923 NP_706277 WP_001142433 WP_001142434
SP	P0AAN5 P0AAN6 P0AAN7 P0AAN8
AlphaFold	P0AAN5 P0AAN6 P0AAN7 P0AAN8