BMRB Entry 15246

Name: chemical shift assignments of PA4090 from Pseudomonas aeruginosa
Published: 2009-10-09

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PDB ID: 2jpi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15246
MolProbity Validation Chart

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

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Title:

chemical shift assignments of PA4090 from Pseudomonas aeruginosa

Deposition date:

2007-05-13

Original release date:

2009-10-09

Authors:

Ai, Xuanjun; Semesi, Anthony; Yee, Adelinda; Arrowsmith, Cheryl; Li, Shawn; Choy, Wing-Yiu

Citation:

Citation: Ai, Xuanjun; Semesi, Anthony; Yee, Adelinda; Arrowsmith, Cheryl; Choy, Wing-Yiu; Li, Shawn. "chemical shift assignments of PA4090 from Pseudomonas aeruginosa" Proteins: Struct. Funct. Genet. ., .-..

Assembly members:

Assembly members:
PA4090, polymer, 118 residues, 11021.414 Da.

Natural source:

Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: BL21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PA4090: MGTSHHHHHHSSGRENLYFQ GHMFRSTSHVRTESAARYVN RLCKHWGHKFEVELTPERGF IDFGDSNCELLAHPDHVLMI LNSPDEDSLAHMQNVVADHL QRMANSESLEIAWQPAES

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	363
15N chemical shifts	88
1H chemical shifts	496

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PA4090	1

Entities:

Entity 1, PA4090 118 residues - 11021.414 Da.

1

MET

GLY

THR

SER

HIS

2

SER

GLY

ARG

GLU

ASN

LEU

TYR

PHE

GLN

3

GLY

HIS

MET

PHE

ARG

SER

THR

SER

HIS

VAL

4

ARG

THR

GLU

SER

ALA

ARG

TYR

VAL

ASN

5

ARG

LEU

CYS

LYS

HIS

TRP

GLY

HIS

LYS

PHE

6

GLU

VAL

GLU

LEU

THR

PRO

GLU

ARG

GLY

PHE

7

ILE

ASP

PHE

GLY

ASP

SER

ASN

CYS

GLU

LEU

8

LEU

ALA

HIS

PRO

ASP

HIS

VAL

LEU

MET

ILE

9

LEU

ASN

SER

PRO

ASP

GLU

ASP

SER

LEU

ALA

10

HIS

MET

GLN

ASN

VAL

ALA

ASP

HIS

LEU

11

GLN

ARG

MET

ALA

ASN

SER

GLU

SER

LEU

GLU

12

ILE

ALA

TRP

GLN

PRO

ALA

GLU

SER

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 1.0 mM; MOPS 10 mM; NaCl 450 mM; Zn2+ 10 uM; DTT 10 mM; NaN3 0.01%; inhibitor mixture 1x w/v; benzamidine 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; 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 HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2JPI
DBJ	BAK92112 BAP19994 BAP48856 BAQ37677 BAR65783
EMBL	CAW25613 CCQ83823 CDH69171 CDH75295 CDI92571
GB	AAG07477 AAT49433 ABJ13362 AEO73337 AFM63068
REF	NP_252779 WP_003093387 WP_023085627 WP_024915557 WP_033936217