BMRB Entry 19011

Name: 1H, 15N and 13C backbone chemical shift assignment of the titin A60 domain
Published: 2014-02-13

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19011

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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: 1H, 15N and 13C backbone chemical shift assignment of the titin A60 domain PubMed: 24469996

Deposition date: 2013-02-06 Original release date: 2014-02-13

Authors: Czajlik, Andras; Thompson, Gary; Khan, Ghulam N; Kalverda, Arnout; Homans, Steve W; Trinick, John

Citation: Czajlik, Andras; Thompson, Gary; Khan, Ghulam; Kalverda, Arnout; Homans, Steve; Trinick, John. "(1)H, (15)N and (13)C backbone chemical shift assignment of titin domains A59-A60 and A60 alone." Biomol. NMR Assignments ., .-. (2014).

Assembly members:
C1CT, polymer, 134 residues, 14951.7543 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: Escherichia coli

Entity Sequences (FASTA):
C1CT: MGHHHHHHSSGHENLYFQGT LDPIDIDPPGKPEVINITRN SVTLIWTEPKYDGGHKLTGY IVEKRDLPSKSWMKANHVNV PECAFTVTDLVEGGKYEFRI RAKNTAGAISAPSESTETII CKDEYEAPTIVLAE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	331
15N chemical shifts	111
1H chemical shifts	111

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C1CT	1

Entities:

Entity 1, C1CT 134 residues - 14951.7543 Da.

1

MET

GLY

HIS

SER

2

GLY

HIS

GLU

ASN

LEU

TYR

PHE

GLN

GLY

THR

3

LEU

ASP

PRO

ILE

ASP

ILE

ASP

PRO

GLY

4

LYS

PRO

GLU

VAL

ILE

ASN

ILE

THR

ARG

ASN

5

SER

VAL

THR

LEU

ILE

TRP

THR

GLU

PRO

LYS

6

TYR

ASP

GLY

HIS

LYS

LEU

THR

GLY

TYR

7

ILE

VAL

GLU

LYS

ARG

ASP

LEU

PRO

SER

LYS

8

SER

TRP

MET

LYS

ALA

ASN

HIS

VAL

ASN

VAL

9

PRO

GLU

CYS

ALA

PHE

THR

VAL

THR

ASP

LEU

10

VAL

GLU

GLY

LYS

TYR

GLU

PHE

ARG

ILE

11

ARG

ALA

LYS

ASN

THR

ALA

GLY

ALA

ILE

SER

12

ALA

PRO

SER

GLU

SER

THR

GLU

THR

ILE

13

CYS

LYS

ASP

GLU

TYR

GLU

ALA

PRO

THR

ILE

14

VAL

LEU

ALA

GLU

Samples:

Titin_A60: C1CT, [U-100% 13C; U-100% 15N], 1.0 ± 0.0001 mM; NaCl 500.0 ± 0.005 mM; MES 50.0 ± 0.001 mM; DTT 10.0 ± 0.0001 mM; sodium azide 1.0 ± 0.0001 mM; complete protease inhibitor 1.0 ± 0.0001 mM; DSS 10.0 ± 1e-06 mM

sample_condition_1: pH: 6.500; pressure: 1.000 atm; temperature: 293.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	Titin_A60	isotropic	sample_condition_1
3D HNCA	Titin_A60	isotropic	sample_condition_1
3D H[N[co[{CA\|ca[C]}]]]	Titin_A60	isotropic	sample_condition_1
3D H[N[ca[CO]]]	Titin_A60	isotropic	sample_condition_1
3D HNCO	Titin_A60	isotropic	sample_condition_1

Software:

ANALYSIS v1.0, CCPN - peak assignment

ANALYSIS v2.1, CCPN - peak assignment

CcpNmr_Entry_completion_Interface v2.1, PDBe & CCPN - data deposition

NMRPipe v5.5, NMRPipe - data processing

NMR spectrometers:

Varian UnityInova 750 MHz
Varian UnityInova 600 MHz

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