BMRB Entry 19155

Name: NMR Structure of CbpAN from Streptococcus pneumoniae
Published: 2014-04-14

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PDB ID: 2m6u
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19155
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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:

NMR Structure of CbpAN from Streptococcus pneumoniae

Deposition date:

2013-04-10

Original release date:

2014-04-14

Authors:

Liu, Aizhuo; Yan, Honggao; Achila, David; Martinez-Hackert, Erik; Li, Yue; Banerjee, Rahul

Citation:

Citation: Liu, Aizhuo; Achila, David; Banerjee, Rahul; Martinez-Hackert, Erik; Li, Yue; Yan, Honggao. "Host Specification of Factor H Binding by Streptococcus pneumoniae" Nature ., .-..

Assembly members:

Assembly members:
entity, polymer, 85 residues, 9522.928 Da.

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET17bHR

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GHMLDSERDKARKEVEEYVK KIVGESYAKSTKKRHTITVA LVNELNNIKNEYLNKIVEST SESQLQILMMESRSKVDEAV SKFEK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	356
15N chemical shifts	87
1H chemical shifts	602

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CbpAN	1

Entities:

Entity 1, CbpAN 85 residues - 9522.928 Da.

1

GLY

HIS

MET

LEU

ASP

SER

GLU

ARG

ASP

LYS

2

ALA

ARG

LYS

GLU

VAL

GLU

TYR

VAL

LYS

3

LYS

ILE

VAL

GLY

GLU

SER

TYR

ALA

LYS

SER

4

THR

LYS

ARG

HIS

THR

ILE

THR

VAL

ALA

5

LEU

VAL

ASN

GLU

LEU

ASN

ILE

LYS

ASN

6

GLU

TYR

LEU

ASN

LYS

ILE

VAL

GLU

SER

THR

7

SER

GLU

SER

GLN

LEU

GLN

ILE

LEU

MET

8

GLU

SER

ARG

SER

LYS

VAL

ASP

GLU

ALA

VAL

9

SER

LYS

PHE

GLU

LYS

Samples:

sample_1: DSS 50 uM; sodium azide 100 uM; sodium phosphate 50 mM; sodium chloride 50 mM; H20 95%; D20 5%; CbpAN_protein, 15N/13C-labeled, 1 mM

sample_2: DSS 50 uM; sodium azide 100 uM; sodium phosphate 50 mM; sodium chloride 50 mM; D20 100%; CbpAN_protein, 15N/13C-labeled, 1 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	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 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 900 MHz

PDB	2M6U 4K12
EMBL	CEV61387 CEW81978 CEW91983 CEW94993 CEY00327
GB	AAF13459 AAF73792 AAF73796 AAF73807 AAF73821
REF	WP_000458186 WP_000458187 WP_000458188 WP_000458189 WP_000458190