BMRB Entry 34490

Name: Major subunit ComGC from S. pneumoniae Com pseudopili
Published: 2020-04-13

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34490

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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: Major subunit ComGC from S. pneumoniae Com pseudopili PubMed: 32273343

Deposition date: 2020-02-12 Original release date: 2020-04-13

Authors: Sheppard, D.; Berry, J.; Matthews, S.; Pelicic, V.

Citation: Sheppard, D.; Berry, J.; Denise, R.; Rocha, E.; Matthews, S.; Pelicic, V.. "The major subunit of widespread competence pseudopili exhibits a novel and conserved type IV pilin fold" J. Biol. Chem. 295, 6594-6604 (2020).

Assembly members:
entity_1, polymer, 71 residues, 7948.803 Da.

Natural source: Common Name: Streptococcus pneumoniae R6 Taxonomy ID: 171101 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: NLTKQKEAVNDKGKAAVVKV VESQAELYSLEKNEDASLRK LQADGRITEEQAKAYKEYHD KNGGANRKVND

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	306
15N chemical shifts	81
1H chemical shifts	476

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 71 residues - 7948.803 Da.

1

ASN

LEU

THR

LYS

GLN

LYS

GLU

ALA

VAL

ASN

2

ASP

LYS

GLY

LYS

ALA

VAL

LYS

VAL

3

VAL

GLU

SER

GLN

ALA

GLU

LEU

TYR

SER

LEU

4

GLU

LYS

ASN

GLU

ASP

ALA

SER

LEU

ARG

LYS

5

LEU

GLN

ALA

ASP

GLY

ARG

ILE

THR

GLU

6

GLN

ALA

LYS

ALA

TYR

LYS

GLU

TYR

HIS

ASP

7

LYS

ASN

GLY

ALA

ASN

ARG

LYS

VAL

ASN

8

ASP

Samples:

sample_1: ComGC, [U-100% 13C; U-100% 15N], 1.8 mM; Na2HPO4/NaH2PO4, natural anundance, 25 mM; NaCl, natural anundance, 50 mM; D2O, natural anundance, 5%

sample_2: ComGC, [U-100% 15N], 0.5 mM; Na2HPO4/NaH2PO4, natural anundance, 25 mM; NaCl, natural anundance, 50 mM; D2O, natural anundance, 5%

sample_3: ComGC, [U-100% 15N], 0.5 mM; Na2HPO4/NaH2PO4, natural anundance, 25 mM; NaCl, natural anundance, 50 mM; D2O, natural anundance, 5%; PEG/hexanol, natural anundance, 3.0%

sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D CBCANH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HCCCONH	sample_1	isotropic	sample_conditions_1
3D CCCONH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
2D IPAP HSQC	sample_2	isotropic	sample_conditions_1
2D IPAP HSQC	sample_3	anisotropic	sample_conditions_1
3D 15N NOESY	sample_1	isotropic	sample_conditions_1
3D 13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

Sparky, Goddard - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

Bruker AVANCE III 800 MHz

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