BMRB Entry 26963

Name: PSEUDOMONAS AERUGINOSA ICP
Published: 2016-12-02

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26963

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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:

PSEUDOMONAS AERUGINOSA ICP

Deposition date:

2016-11-30

Original release date:

2016-12-02

Authors:

Fu, Yinan; Smith, Brian

Citation:

Citation: Fu, Yinan. "Structure and Dynamics of Pseudomonas Aeruginosa Icp" Thesis University of Glasgow .

Assembly members:

Assembly members:
paicphis, polymer, 132 residues, 14563.1313 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: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
paicphis: MGSSHHHHHHSSGLVPRGSH MQKPVVTLDDADDCSPLKLT QGQELVLTLPSNPTTGFRWE LRNPAASVLKRLGPEVYSNS EEDSGLVGSGGESTWRFRVA ASGDDRLELVYRRPWEKDAE PAESFSCAIQVR

Data sets:

Data type	Count
13C chemical shifts	380
15N chemical shifts	105
1H chemical shifts	761

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	paicphis	1

Entities:

Entity 1, paicphis 132 residues - 14563.1313 Da.

1

MET

GLY

SER

HIS

2

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

3

MET

GLN

LYS

PRO

VAL

THR

LEU

ASP

4

ALA

ASP

CYS

SER

PRO

LEU

LYS

LEU

THR

5

GLN

GLY

GLN

GLU

LEU

VAL

LEU

THR

LEU

PRO

6

SER

ASN

PRO

THR

GLY

PHE

ARG

TRP

GLU

7

LEU

ARG

ASN

PRO

ALA

SER

VAL

LEU

LYS

8

ARG

LEU

GLY

PRO

GLU

VAL

TYR

SER

ASN

SER

9

GLU

ASP

SER

GLY

LEU

VAL

GLY

SER

GLY

10

GLY

GLU

SER

THR

TRP

ARG

PHE

ARG

VAL

ALA

11

ALA

SER

GLY

ASP

ARG

LEU

GLU

LEU

VAL

12

TYR

ARG

PRO

TRP

GLU

LYS

ASP

ALA

GLU

13

PRO

ALA

GLU

SER

PHE

SER

CYS

ALA

ILE

GLN

14

VAL

ARG

Samples:

sample_1: PA-ICP, [U-100% 13C; U-100% 15N], 1 mM; Na2HPO4 25 mM; NaCl 75 mM; azide 0.01%

sample_conditions_1: ionic strength: 0.125 M; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
hbcbcgcdcehe (H[C[caro]])	sample_1	isotropic	sample_conditions_1
hbcbcgcdhd (H[C[caro]])	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC/HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
newCBCACONH (H[N[co[{CA\|ca[C]}]]])	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D C(CO)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
2D 1H-15N HSQC/HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1

Software:

CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

CcpNmr_Analysis v2.4, CCPN - data analysis

azara vany, Boucher - processing

topspin vany, Bruker Biospin - collection

CCPNMR_Analysis v1.0, CCPN - data analysis

NMR spectrometers:

Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks