BMRB Entry 18419

Name: B2 domain of Neisseria meningitidis Pilus assembly protein PilQ
Published: 2013-01-03

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18419

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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:

B2 domain of Neisseria meningitidis Pilus assembly protein PilQ

Deposition date:

2012-04-24

Original release date:

2013-01-03

Authors:

Phelan, Marie; Berry, J.; Derrick, J.; Lian, L.

Citation:

Citation: Berry, Jamie-Lee; Phelan, Marie; Collins, Richard; Adomavicius, Tomas; Tnjum, Tone; Frye, Stefan; Bird, Louise; Owens, Ray; Ford, Robert; Lian, Lu-Yun; Derrick, Jeremy. "Structure and assembly of a trans-periplasmic channel for type IV pili in Neisseria meningitidis." PLoS Pathog. 8, .-. (2012).
PubMed: 23028322

Assembly members:

Assembly members:
NmPilQ_B2, polymer, 138 residues, 15181.3338 Da.

Natural source:

Natural source: Common Name: Neisseria meningitidis Taxonomy ID: 487 Superkingdom: Bacteria Kingdom: not available Genus/species: Neisseria meningitidis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NmPilQ_B2: MGSSHHHHHHGLVPRGSHMA SMTGGQQMGRGSKQTNIDFR KDGKNAGIIELAALGFAGQP DISQQHDHIIVTLKNHTLPT TLQRSLDVADFKTPVQKVTL KRLNNDTQLIITTAGNWELV NKSAAPGYFTFQVLPKKQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
1H chemical shifts	831
13C chemical shifts	529
15N chemical shifts	124

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NmPilQ_B2	1

Entities:

Entity 1, NmPilQ_B2 138 residues - 15181.3338 Da.

1

MET

GLY

SER

HIS

2

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

MET

ALA

3

SER

MET

THR

GLY

GLN

MET

GLY

ARG

4

GLY

SER

LYS

GLN

THR

ASN

ILE

ASP

PHE

ARG

5

LYS

ASP

GLY

LYS

ASN

ALA

GLY

ILE

GLU

6

LEU

ALA

LEU

GLY

PHE

ALA

GLY

GLN

PRO

7

ASP

ILE

SER

GLN

HIS

ASP

HIS

ILE

8

VAL

THR

LEU

LYS

ASN

HIS

THR

LEU

PRO

THR

9

THR

LEU

GLN

ARG

SER

LEU

ASP

VAL

ALA

ASP

10

PHE

LYS

THR

PRO

VAL

GLN

LYS

VAL

THR

LEU

11

LYS

ARG

LEU

ASN

ASP

THR

GLN

LEU

ILE

12

ILE

THR

ALA

GLY

ASN

TRP

GLU

LEU

VAL

13

ASN

LYS

SER

ALA

PRO

GLY

TYR

PHE

THR

14

PHE

GLN

VAL

LEU

PRO

LYS

GLN

Samples:

sample_1: NmPilQ_B2, [U-13C; U-15N], 0.5 mM; potassium phosphate 50 mM; sodium chloride 50 mM; sodium azide 0.2%

sample_conditions_1: ionic strength: 100.000 mM; pH: 6.800; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	sample_1	solution	sample_conditions_1
3D HNCACB	sample_1	solution	sample_conditions_1
3D HN(CA)CO 3D HNCO	sample_1	solution	sample_conditions_1
2D 1H-15N HSQC	sample_1	solution	sample_conditions_1
3D HBHA(CO)NH	sample_1	solution	sample_conditions_1
3D HBHANH	sample_1	solution	sample_conditions_1
2D hbCBcgcdHD	sample_1	solution	sample_conditions_1
2D ali 1H-13C HSQC	sample_1	solution	sample_conditions_1
2D aro 1H-13C HSQC	sample_1	solution	sample_conditions_1
3D ali HC-NOESY	sample_1	solution	sample_conditions_1
3D aro HC-NOESY	sample_1	solution	sample_conditions_1
3D HN-NOESY	sample_1	solution	sample_conditions_1
3D ali HCcH-TOCSY	sample_1	solution	sample_conditions_1
3D aro HCcH-TOCSY	sample_1	solution	sample_conditions_1
nmrExpt	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, AutoDep - collection

CCPN_analysis v2.1.3, CCPN - chemical shift assignment, data analysis

CNS1.2 v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure water refinement

CYANA2.1 vany, Guntert, Mumenthaler and Wuthrich - chemical shift assignment and structure refinement

TALOSPLUS vany, Cornilescu, Delaglio and Bax - dihedral angle calculation

Topspin2.1 vany, Bruker Biospin - spectra acquisition and processing

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz
Bruker AVANCE 600 MHz

UNP	PILQ_NEIMB
PDB	4AQZ 4AQZ 4AV2
EMBL	CAD91899 CAX50762 CBA04080 CBA04815 CBA09077
GB	AAC43603 AAC96097 AAW88855 AAY52170 ACF28835
PRF	2210365A
REF	NP_274809 WP_002214524 WP_002221480 WP_002224059 WP_002225652
SP	P35819 Q5FAD2 Q70M91 Q9ZHF3
AlphaFold	Q4W562 P35819 Q5FAD2 Q70M91 Q9ZHF3