BMRB Entry 15906

Name: 1J coupling constants related to the Ca carbons in human Frataxin C-terminal domain (90-210)
Published: 2008-11-19

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15906

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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:

1J coupling constants related to the Ca carbons in human Frataxin C-terminal domain (90-210)

Deposition date:

2008-08-04

Original release date:

2008-11-19

Authors:

Schmidt, Jurgen; Lohr, Frank

Citation:

Citation: Schmidt, Jurgen; Howard, Mark; Maestre-Martinez, Mitcheell; Perez, Carlos; Lohr, Frank. "Variation in protein C(alpha)-related one-bond J couplings" Magn. Reson. Chem. 47, 16-30 (2009).
PubMed: 18853398

Assembly members:

Assembly members:
Frataxin, polymer, 121 residues, 13492.6 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Frataxin: MDETTYERLAEETLDSLAEF FEDLADKPYTFEDYDVSFGS GVLTVKLGGDLGTYVINKQT PNKQIWLSSPSSGPKRYDWT GKNWVYSHDGVSLHELLAAE LTKALKTKLDLSSLAYSGKD A

Data sets:

coupling_constants

Data type	Count
coupling constants	425

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	protein	1

Entities:

Entity 1, protein 121 residues - 13492.6 Da.

1

MET

ASP

GLU

THR

TYR

GLU

ARG

LEU

ALA

2

GLU

THR

LEU

ASP

SER

LEU

ALA

GLU

PHE

3

PHE

GLU

ASP

LEU

ALA

ASP

LYS

PRO

TYR

THR

4

PHE

GLU

ASP

TYR

ASP

VAL

SER

PHE

GLY

SER

5

GLY

VAL

LEU

THR

VAL

LYS

LEU

GLY

ASP

6

LEU

GLY

THR

TYR

VAL

ILE

ASN

LYS

GLN

THR

7

PRO

ASN

LYS

GLN

ILE

TRP

LEU

SER

PRO

8

SER

GLY

PRO

LYS

ARG

TYR

ASP

TRP

THR

9

GLY

LYS

ASN

TRP

VAL

TYR

SER

HIS

ASP

GLY

10

VAL

SER

LEU

HIS

GLU

LEU

ALA

GLU

11

LEU

THR

LYS

ALA

LEU

LYS

THR

LYS

LEU

ASP

12

LEU

SER

LEU

ALA

TYR

SER

GLY

LYS

ASP

13

ALA

Samples:

doubly_labeled: Frataxin, [U-95% 13C; U-95% 15N], 1.7 mM; TRIS 20 mM; sodium chloride 100 mM; D2O, [U-2H], 5%; H2O 95%

sample_conditions_1: pH: 8.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D Ca-coupled HNCO	doubly_labeled	isotropic	sample_conditions_1
2D IPAP-type HN(CO-a/b-NCa-J)-TROSY	doubly_labeled	isotropic	sample_conditions_1
3D Cb-coupled [15N,1H]-TROSY-HN(CO)CA	doubly_labeled	isotropic	sample_conditions_1
3D Ha-coupled ct-[15N,1H]-TROSY-HN(CO)CA	doubly_labeled	isotropic	sample_conditions_1
2D HN(COCA-J)	doubly_labeled	isotropic	sample_conditions_1
2D Ha-coupled HN(CO)CA	doubly_labeled	isotropic	sample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection, processing

jeval, JM Schmidt - coupling constant extraction, data analysis, multiplet simulation

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 900 MHz
Bruker Avance 600 MHz
Bruker Avance 800 MHz
Varian INOVA 600 MHz

BMRB	15233 15234 15235 15736 16581 4342
PDB	1EKG 1LY7 3S4M 3S5D 3S5E 3S5F 3T3J 3T3K 3T3L 3T3T 3T3X
GB	AAA98508 AAA98509 AAA98510 AAH23633 AAH48097
REF	NP_000135 NP_001155178 NP_001247670 NP_852090 XP_001137864
SP	Q16595
AlphaFold	Q16595