BMRB Entry 16190

Name: Structure of the N-terminal domain of human cardiac troponin C bound to calcium ion and to the inhibitor W7
Published: 2009-05-20

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PDB ID: 2kfx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16190
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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:

Structure of the N-terminal domain of human cardiac troponin C bound to calcium ion and to the inhibitor W7

Deposition date:

2009-02-28

Original release date:

2009-05-20

Authors:

Hoffman, Ryan; Sykes, Brian

Citation:

Citation: Hoffman, Ryan; Sykes, Brian. "Structure of the inhibitor w7 bound to the regulatory domain of cardiac troponin C" Biochemistry 48, 5541-5552 (2009).
PubMed: 19419198

Assembly members:

Assembly members:
cNTnC, polymer, 89 residues, 10038.240 Da.
WW7, non-polymer, 340.868 Da.
CA, non-polymer, 40.078 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: pET

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cNTnC: MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
13C chemical shifts	21
1H chemical shifts	63

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cNTnC	1
2	N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE	2
3	calcium ion	3

Entities:

Entity 1, cNTnC 89 residues - 10038.240 Da.

1

MET

ASP

ILE

TYR

LYS

ALA

VAL

GLU

2

GLN

LEU

THR

GLU

GLN

LYS

ASN

GLU

PHE

3

LYS

ALA

PHE

ASP

ILE

PHE

VAL

LEU

GLY

4

ALA

GLU

ASP

GLY

SER

ILE

SER

THR

LYS

GLU

5

LEU

GLY

LYS

VAL

MET

ARG

MET

LEU

GLY

GLN

6

ASN

PRO

THR

PRO

GLU

LEU

GLN

GLU

MET

7

ILE

ASP

GLU

VAL

ASP

GLU

ASP

GLY

SER

GLY

8

THR

VAL

ASP

PHE

ASP

GLU

PHE

LEU

VAL

MET

9

MET

VAL

ARG

SER

MET

LYS

ASP

SER

Entity 2, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE - C16 H21 Cl N2 O2 S - 340.868 Da.

1

WW7

Entity 3, calcium ion - Ca - 40.078 Da.

1

CA

Samples:

sample: cNTnC, [U-99% 13C; U-99% 15N], 0.8 mM; CALCIUM ION 4.9 mM; N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE 0.8 mM; imidazole 10 mM; DSS, [U-99% 2H], 83 mM

sample_conditions: pH: 6.75; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D-{1H,12C}-filtered-{1H,13C}-edited NOESY	sample	isotropic	sample_conditions

Software:

VNMRJ, Varian - collection, processing

NMRViewJ v8.0.a18, One Moon Scientific Inc. - spectral assignment

Fillshifts v4.02, Leigh Willard, Stephane Gagne, and Pascal Mercier - averaging of chemical shifts

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz

BMRB	15385 15388 15400 15427 16752 17103 19789 25034 25035 25120 25495 25797
PDB	1AJ4 1AP4 1DTL 1J1D 1J1E 1LA0 1LXF 1MXL 1SPY 1WRK 1WRL 2CTN 2JT0 2JT3 2JT8 2JTZ 2KFX 2KRD 2L1R 2MKP 2MZP 3SD6 3SWB 4GJE
DBJ	BAA02369 BAG36483
EMBL	CAA30736 CAG46663 CAG46683
GB	AAA36772 AAA37492 AAA37493 AAA48654 AAB91994
PIR	TPHUCC
PRF	1510257A 750650A
REF	NP_001029277 NP_001029523 NP_001123715 NP_001272501 NP_001291793
SP	P02591 P09860 P19123 P63315 P63316
TPG	DAA16908
AlphaFold	P02591 P09860 P19123 P63315 P63316