BMRB Entry 16856

Name: Solution Structure of acyl carrier protein from Borrelia burgdorferi, Seattle Structural Genomics Center for Infectious Disease (SSGCID) consortium
Published: 2010-04-20

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PDB ID: 2kwl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16856
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution Structure of acyl carrier protein from Borrelia burgdorferi, Seattle Structural Genomics Center for Infectious Disease (SSGCID) consortium

Deposition date:

2010-04-12

Original release date:

2010-04-20

Authors:

Barnwal, Ravi Pratap; Vittal, Vinayak; Moody, James; Varani, Gabriele

Citation:

Citation: Barnwal, Ravi Pratap; Vittal, Vinayak; Moody, James; Varani, Gabriele. "NMR Structure of acyl carrier protein from Borrelia burgdorferi." .

Assembly members:

Assembly members:
acyl_carrier_protein, polymer, 84 residues, 9642.646 Da.

Natural source:

Natural source: Common Name: Lyme disease spirochete Taxonomy ID: 139 Superkingdom: Bacteria Kingdom: not available Genus/species: Borrelia burgdorferi

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Borrelia burgdorferi Vector: AVA vector

Entity Sequences (FASTA):

Entity Sequences (FASTA):
acyl_carrier_protein: GPGSMDNDEIFSKVRSIISE QLDKKEDEITTDSRFVEDLN ADSLDIYELLYLLEEAFDDK IPENEANEFETVGDVVNFIK KRKG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	335
15N chemical shifts	90
1H chemical shifts	582

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 84 residues - 9642.646 Da.

1

GLY

PRO

GLY

SER

MET

ASP

ASN

ASP

GLU

ILE

2

PHE

SER

LYS

VAL

ARG

SER

ILE

SER

GLU

3

GLN

LEU

ASP

LYS

GLU

ASP

GLU

ILE

THR

4

THR

ASP

SER

ARG

PHE

VAL

GLU

ASP

LEU

ASN

5

ALA

ASP

SER

LEU

ASP

ILE

TYR

GLU

LEU

6

TYR

LEU

GLU

ALA

PHE

ASP

LYS

7

ILE

PRO

GLU

ASN

GLU

ALA

ASN

GLU

PHE

GLU

8

THR

VAL

GLY

ASP

VAL

ASN

PHE

ILE

LYS

9

LYS

ARG

LYS

GLY

Samples:

sample_1: acyl carrier protein (BobuA.00658.a), [U-95% 13C; U-95% 15N], 1.1 mM

sample_2: acyl carrier protein (BobuA.00658.a), [U-95% 15N], 1.1 mM

sample_3: acyl carrier protein (BobuA.00658.a) 1.1 mM

sample_conditions_1: pH: 7; 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	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

NMR spectrometers:

Bruker AMX 500 MHz

PDB	2KWL
GB	AAC67041 AAU07553 ABH01977 ACK74653 ADQ29392
REF	NP_212838 WP_002557291 WP_002656801 WP_004789379 WP_006068702
SP	B7J0F1 O51647 Q0SMF1 Q660G8
AlphaFold	B7J0F1 O51647 Q0SMF1 Q660G8