BMRB Entry 36097

Name: Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2
Published: 2018-06-18

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PDB ID: 5xr1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR36097
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2

Deposition date: 2017-06-07 Original release date: 2018-06-18

Authors: Chatterjee, D.; Lu, L.; Bhattacharjya, S.

Citation: Chatterjee, D.; Lu, L.; Bhattachrjya, S.. "Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2" . ., .-..

Assembly members:
FLN IG21 domain, polymer, 116 residues, 11716.865 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: recombinant technology Host organism: BAC cloning vector attB-P[acman]-ApR-F-2-5-attB

Entity Sequences (FASTA):
FLN IG21 domain: PLFKSATTTVMNGASGSGAS GSGGAHKVRAGGPGLERAEA GVPAEFSIWTREAGAGGLAI AVEGPSKAEISFEDRKDGSC GVAYVVQEPGDYEVSVKFNE EHIPDSPFVVPVASPS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	159
15N chemical shifts	87
1H chemical shifts	361

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_1 116 residues - 11716.865 Da.

1

PRO

LEU

PHE

LYS

SER

ALA

THR

VAL

2

MET

ASN

GLY

ALA

SER

GLY

SER

GLY

ALA

SER

3

GLY

SER

GLY

ALA

HIS

LYS

VAL

ARG

ALA

4

GLY

PRO

GLY

LEU

GLU

ARG

ALA

GLU

ALA

5

GLY

VAL

PRO

ALA

GLU

PHE

SER

ILE

TRP

THR

6

ARG

GLU

ALA

GLY

ALA

GLY

LEU

ALA

ILE

7

ALA

VAL

GLU

GLY

PRO

SER

LYS

ALA

GLU

ILE

8

SER

PHE

GLU

ASP

ARG

LYS

ASP

GLY

SER

CYS

9

GLY

VAL

ALA

TYR

VAL

GLN

GLU

PRO

GLY

10

ASP

TYR

GLU

VAL

SER

VAL

LYS

PHE

ASN

GLU

11

GLU

HIS

ILE

PRO

ASP

SER

PRO

PHE

VAL

12

PRO

VAL

ALA

SER

PRO

SER

Samples:

sample_1: FLN IG21 domain, [U-13C; U-15N], 300 uM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 150 mM; pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AvanceIII 600 MHz

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