BMRB Entry 15810

Name: Solution structure of uncharacterized protein PA1076 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium (NESG) target PaT3, Ontario Center for Structural Proteomics target PA1076.
Published: 2009-04-23

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PDB ID: 2k4v
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15810
MolProbity Validation Chart

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

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Title:

Solution structure of uncharacterized protein PA1076 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium (NESG) target PaT3, Ontario Center for Structural Proteomics target PA1076.

Deposition date:

2008-06-19

Original release date:

2009-04-23

Authors:

Gutmanas, Aleksandras; Lemak, Alexander; Fares, Christophe; Yee, Adelinda; Semesi, Anthony; Arrowsmith, Cheryl

Citation:

Citation: Gutmanas, Aleksandras; Lemak, Alexander; Fares, Christophe; Yee, Adelinda; Semesi, Anthony; Arrowsmith, Cheryl. "Solution structure of uncharacterized protein PA1076 from Pseudomonas aeruginosa." .

Assembly members:

Assembly members:
PA1076, polymer, 125 residues, 14233.955 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: p11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PA1076: QGHMFEPGHLHLVSLPGLDQ QDINIHIRYEVRQNAESGAY VHFDMDGEIDGKPFSDSFEL PRDTAFNFASDATRVAQKHG LHPKFGAITRVHKEYDAMFE DIRAKLHAHPGEPVDLERII RHEGS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	500
15N chemical shifts	102
1H chemical shifts	797

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PA1076	1

Entities:

Entity 1, PA1076 125 residues - 14233.955 Da.

1

GLN

GLY

HIS

MET

PHE

GLU

PRO

GLY

HIS

LEU

2

HIS

LEU

VAL

SER

LEU

PRO

GLY

LEU

ASP

GLN

3

GLN

ASP

ILE

ASN

ILE

HIS

ILE

ARG

TYR

GLU

4

VAL

ARG

GLN

ASN

ALA

GLU

SER

GLY

ALA

TYR

5

VAL

HIS

PHE

ASP

MET

ASP

GLY

GLU

ILE

ASP

6

GLY

LYS

PRO

PHE

SER

ASP

SER

PHE

GLU

LEU

7

PRO

ARG

ASP

THR

ALA

PHE

ASN

PHE

ALA

SER

8

ASP

ALA

THR

ARG

VAL

ALA

GLN

LYS

HIS

GLY

9

LEU

HIS

PRO

LYS

PHE

GLY

ALA

ILE

THR

ARG

10

VAL

HIS

LYS

GLU

TYR

ASP

ALA

MET

PHE

GLU

11

ASP

ILE

ARG

ALA

LYS

LEU

HIS

ALA

HIS

PRO

12

GLY

GLU

PRO

VAL

ASP

LEU

GLU

ARG

ILE

13

ARG

HIS

GLU

GLY

SER

Samples:

sample_H2O: PA1076, [U-100% 13C; U-100% 15N], 0.7-1 mM; TRIS, [U-2H], 10 mM; sodium chloride 300 mM; sodium azide 0.01%; benzamidine 1 mM; inhibitor cocktail 1 x

sample_conditions_1: ionic strength: 300 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_H2O	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_H2O	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_H2O	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_H2O	isotropic	sample_conditions_1
3D HNCO	sample_H2O	isotropic	sample_conditions_1
3D HNCA	sample_H2O	isotropic	sample_conditions_1
3D C(CO)NH	sample_H2O	isotropic	sample_conditions_1
3D H(CCO)NH	sample_H2O	isotropic	sample_conditions_1
3D H(C)CH-TOCSY	sample_H2O	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_H2O	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_H2O	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_H2O	isotropic	sample_conditions_1
3D 1H-13C aromatic NOESY	sample_H2O	isotropic	sample_conditions_1
3D H(C)CH-TOCSY aromatic	sample_H2O	isotropic	sample_conditions_1
3D (H)CCH-TOCSY aromatic	sample_H2O	isotropic	sample_conditions_1
T1rho array	sample_H2O	isotropic	sample_conditions_1
3D IPAP E-COSY HNCO	sample_H2O	isotropic	sample_conditions_1
3D IPAP E-COSY HNCO	sample_H2O	anisotropic	sample_conditions_1

Software:

ANALYSIS v1.4, CCPN - chemical shift assignment, peak picking

MDDNMR v1.2c, V. Orekhov, I. Ibraghimov - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

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

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

ABACUS, A. Lemak - chemical shift assignment, NOE assignment

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz
Bruker Avance 500 MHz

PDB	2K4V
DBJ	BAK88798 BAP20653 BAP52231 BAQ41330 BAR69178
EMBL	CAW29000 CCQ87961 CDH72383 CDH78643 CDI89206
GB	AAG04465 AAT49383 ABJ10241 ABR82558 AEO76449
REF	NP_249767 WP_003082140 WP_003111391 WP_003149705 WP_023099857