BMRB Entry 26919

Name: 1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca Type 2 Secretion System
Published: 2017-04-26

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PDB ID: 5o2y
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26919
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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:

1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca Type 2 Secretion System

Deposition date:

2016-10-19

Original release date:

2017-04-26

Authors:

Lopez-Castilla, Aracelys; Vitorge, Bruno; Khoury, Lea; Morellet, Nelly; Francetic, Olivera; Izadi-Pruneyre, Nadia

Citation:

Citation: Lopez-Castilla, Aracelys; Vitorge, Bruno; Khoury, Lea; Morellet, Nelly; Francetic, Olivera; Izadi-Pruneyre, Nadia. "1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca type 2 secretion system" Biomol. NMR Assign. 11, 155-158 (2017).
PubMed: 28258547

Assembly members:

Assembly members:
PulG, polymer, 116 residues, 12912.1838 Da.

Natural source:

Natural source: Common Name: Klebsiella pneumoniae Taxonomy ID: 571 Superkingdom: Bacteria Kingdom: not available Genus/species: Klebsiella oxytoca

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pCHAP7013

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PulG: MGNKEKADRQKVVSDLVALE GALDMYKLDNSRYPTTEQGL QALVSAPSAEPHARNYPEGG YIRRLPQDPWGSDYQLLSPG QHGQVDIFSLGPDGVPESND DIGNWTIGFHHHHHHK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	421
15N chemical shifts	103
1H chemical shifts	630

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PulG	1

Entities:

Entity 1, PulG 116 residues - 12912.1838 Da.

1

MET

GLY

ASN

LYS

GLU

LYS

ALA

ASP

ARG

GLN

2

LYS

VAL

SER

ASP

LEU

VAL

ALA

LEU

GLU

3

GLY

ALA

LEU

ASP

MET

TYR

LYS

LEU

ASP

ASN

4

SER

ARG

TYR

PRO

THR

GLU

GLN

GLY

LEU

5

GLN

ALA

LEU

VAL

SER

ALA

PRO

SER

ALA

GLU

6

PRO

HIS

ALA

ARG

ASN

TYR

PRO

GLU

GLY

7

TYR

ILE

ARG

LEU

PRO

GLN

ASP

PRO

TRP

8

GLY

SER

ASP

TYR

GLN

LEU

SER

PRO

GLY

9

GLN

HIS

GLY

GLN

VAL

ASP

ILE

PHE

SER

LEU

10

GLY

PRO

ASP

GLY

VAL

PRO

GLU

SER

ASN

ASP

11

ASP

ILE

GLY

ASN

TRP

THR

ILE

GLY

PHE

HIS

12

HIS

LYS

Samples:

sample_1: PulG, [U-99% 13C; U-99% 15N], 0.6 mM; HEPES 50 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10%; CaCl2 1.2 mM

sample_2: PulG, [U-99% 13C; U-99% 15N], 0.6 mM; HEPES 50 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10%; CaCl2 1.2 mM

sample_conditions_1: ionic strength: 0.100 M; pH: 7.000; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC/HMQC	sample_1	isotropic	sample_conditions_1
1046_cbcaconh (H[N[co[{CA\|ca[C]}]]])	sample_1	isotropic	sample_conditions_1
1048_hncaco (H[N[ca[CO]]])	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
1059_c_co_nh (H[N[co[{CA\|ca[C]}]]])	sample_1	isotropic	sample_conditions_1
1061_hcconh (HccoNH)	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
1063_hbcbcgcdhd (hbCBcgcdHD)	sample_1	isotropic	sample_conditions_1
1062_hbcbcgcdcehe (hbCBcgcdceHE)	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr_Analysis v2.4, CCPN - spectra analysis

NMRPipe vunknown, Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A - Processing

TOPSPIN v3.1, Bruker Biospin - collection

NMR spectrometers:

Varian UnityInova 600 MHz
Bruker Avance 950 MHz

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