BMRB Entry 25969

Name: Solution NMR structure of the DNA-binding type IV pilin ComP from Neisseri subflava
Published: 2016-05-23

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PDB ID: 2nba
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/BMR25969
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of the DNA-binding type IV pilin ComP from Neisseri subflava PubMed: 27161979

Deposition date: 2016-02-02 Original release date: 2016-05-23

Authors: Berry, Jamie; Xu, Yingqi

Citation: Berry, Jamie; Xu, Yingqi; Ward, Philip; Lea, Susan; Matthews, Stephen; Pelicic, Vladimir. "A Comparative Structure/Function Analysis of Two Type IV Pilin DNA Receptors Defines a Novel Mode of DNA Binding" Structure 24, 926-934 (2016).

Assembly members:
entity, polymer, 119 residues, 13071.196 Da.

Natural source: Common Name: b-proteobacteria Taxonomy ID: 28449 Superkingdom: Bacteria Kingdom: not available Genus/species: Neisseria subflava

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

Entity Sequences (FASTA):
entity: HRSANLRAAHAALLENARFM EQFYAKKGSFKLTSTKWPEL PVKEAGGFCIRMSGQAKGIL EGKFTLKAVALDREAEPRVL RLNESLTAVVCGKMKGKGSC TDGEEIFRGNDAECRPFTG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	513
15N chemical shifts	115
1H chemical shifts	799

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ComP	1

Entities:

Entity 1, ComP 119 residues - 13071.196 Da.

1

HIS

ARG

SER

ALA

ASN

LEU

ARG

ALA

HIS

2

ALA

LEU

GLU

ASN

ALA

ARG

PHE

MET

3

GLU

GLN

PHE

TYR

ALA

LYS

GLY

SER

PHE

4

LYS

LEU

THR

SER

THR

LYS

TRP

PRO

GLU

LEU

5

PRO

VAL

LYS

GLU

ALA

GLY

PHE

CYS

ILE

6

ARG

MET

SER

GLY

GLN

ALA

LYS

GLY

ILE

LEU

7

GLU

GLY

LYS

PHE

THR

LEU

LYS

ALA

VAL

ALA

8

LEU

ASP

ARG

GLU

ALA

GLU

PRO

ARG

VAL

LEU

9

ARG

LEU

ASN

GLU

SER

LEU

THR

ALA

VAL

10

CYS

GLY

LYS

MET

LYS

GLY

LYS

GLY

SER

CYS

11

THR

ASP

GLY

GLU

ILE

PHE

ARG

GLY

ASN

12

ASP

ALA

GLU

CYS

ARG

PRO

PHE

THR

GLY

Samples:

sample_1: ComP, [U-98% 13C; U-98% 15N], 750 uM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 6; pressure: 1 atm; temperature: 295 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1

Software:

ARIA v2.1, Linge, O'Donoghue and Nilges - structure solution

NMR spectrometers:

Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts